4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide

C110H117Cl3N16O18S — CID 158765013

IUPAC4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide
SMILESCC(C)C(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)NO)cc1.CC(C)C(NC(=O)c1ccnc2ccccc12)c1ccc(C(=O)NO)cc1.CC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1.CC(NC(=O)c1csc2ccccc12)c1ccc(C(=O)NO)cc1.CCCC(=O)NC(C)c1ccc(C(=O)NO)cc1.CCC[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H23N3O3.C21H21N3O3.C20H20ClN3O3.C18H16N2O3S.C17H19Cl2N3O3.C13H18N2O3/c1-13(2)19(14-8-10-15(11-9-14)20(25)23-27)22-21(26)18-12-16-6-4-5-7-17(16)24(18)3;1-13(2)19(14-7-9-15(10-8-14)20(25)24-27)23-21(26)17-11-12-22-18-6-4-3-5-16(17)18;1-11(2)18(12-3-5-13(6-4-12)19(25)24-27)23-20(26)17-10-14-9-15(21)7-8-16(14)22-17;1-11(12-6-8-13(9-7-12)17(21)20-23)19-18(22)15-10-24-16-5-3-2-4-14(15)16;1-3-4-13(10-5-7-11(8-6-10)16(23)21-25)20-17(24)14-9-12(18)15(19)22(14)2;1-3-4-12(16)14-9(2)10-5-7-11(8-6-10)13(17)15-18/h4-13,19,27H,1-3H3,(H,22,26)(H,23,25);3-13,19,27H,1-2H3,(H,23,26)(H,24,25);3-11,18,22,27H,1-2H3,(H,23,26)(H,24,25);2-11,23H,1H3,(H,19,22)(H,20,21);5-9,13,25H,3-4H2,1-2H3,(H,20,24)(H,21,23);5-9,18H,3-4H2,1-2H3,(H,14,16)(H,15,17)/t19-;;;;13-;/m1...1./s1
InChIKeyIPDLNACZPQDTPS-KFWVVRDVSA-N
MW2089.67 g/mol
LogP19.99
Rot. Bonds30

About 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide

4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide (PubChem CID 158765013) has the molecular formula C110H117Cl3N16O18S and a molecular weight of 2089.67 g/mol. Its IUPAC name is 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide
PubChem CID158765013
Molecular FormulaC110H117Cl3N16O18S
Molecular Weight2089.67 g/mol
Exact Mass2086.75
IUPAC Name4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide
SMILESCC(C)C(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)NO)cc1.CC(C)C(NC(=O)c1ccnc2ccccc12)c1ccc(C(=O)NO)cc1.CC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1.CC(NC(=O)c1csc2ccccc12)c1ccc(C(=O)NO)cc1.CCCC(=O)NC(C)c1ccc(C(=O)NO)cc1.CCC[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C21H23N3O3.C21H21N3O3.C20H20ClN3O3.C18H16N2O3S.C17H19Cl2N3O3.C13H18N2O3/c1-13(2)19(14-8-10-15(11-9-14)20(25)23-27)22-21(26)18-12-16-6-4-5-7-17(16)24(18)3;1-13(2)19(14-7-9-15(10-8-14)20(25)24-27)23-21(26)17-11-12-22-18-6-4-3-5-16(17)18;1-11(2)18(12-3-5-13(6-4-12)19(25)24-27)23-20(26)17-10-14-9-15(21)7-8-16(14)22-17;1-11(12-6-8-13(9-7-12)17(21)20-23)19-18(22)15-10-24-16-5-3-2-4-14(15)16;1-3-4-13(10-5-7-11(8-6-10)16(23)21-25)20-17(24)14-9-12(18)15(19)22(14)2;1-3-4-12(16)14-9(2)10-5-7-11(8-6-10)13(17)15-18/h4-13,19,27H,1-3H3,(H,22,26)(H,23,25);3-13,19,27H,1-2H3,(H,23,26)(H,24,25);3-11,18,22,27H,1-2H3,(H,23,26)(H,24,25);2-11,23H,1H3,(H,19,22)(H,20,21);5-9,13,25H,3-4H2,1-2H3,(H,20,24)(H,21,23);5-9,18H,3-4H2,1-2H3,(H,14,16)(H,15,17)/t19-;;;;13-;/m1...1./s1
InChIKeyIPDLNACZPQDTPS-KFWVVRDVSA-N
XLogP19.99
TPSA509.12 Ų
H-Bond Donors19
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002089.67
LogP ≤ 519.99
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 70102582
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 70102583
N-[(2R)-1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 70103795
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 70103797
3-[1-(2-benzothiophene-1-carbonyl)piperidin-4-yl]-N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
CID 70104914
3-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
CID 70104917
3-[1-(2-benzothiophene-1-carbonyl)piperidin-4-yl]-N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
CID 70104922
1-(1-benzothiophene-2-carbonyl)-N-[(2R)-1-[6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70104943
1-(5-acetylthiophene-2-carbonyl)-N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70105827
1-(5-acetylthiophene-2-carbonyl)-N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 70105828
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 70107022
N-[(2R)-1-[(3S)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 70107025

Frequently Asked Questions

What is the IUPAC name of 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide?
The IUPAC name of 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide (CID 158765013) is 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide is CC(C)C(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)NO)cc1.CC(C)C(NC(=O)c1ccnc2ccccc12)c1ccc(C(=O)NO)cc1.CC(C)[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1.CC(NC(=O)c1csc2ccccc12)c1ccc(C(=O)NO)cc1.CCCC(=O)NC(C)c1ccc(C(=O)NO)cc1.CCC[C@@H](NC(=O)c1cc(Cl)c(Cl)n1C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide?
The InChIKey is IPDLNACZPQDTPS-KFWVVRDVSA-N. The full InChI is InChI=1S/C21H23N3O3.C21H21N3O3.C20H20ClN3O3.C18H16N2O3S.C17H19Cl2N3O3.C13H18N2O3/c1-13(2)19(14-8-10-15(11-9-14)20(25)23-27)22-21(26)18-12-16-6-4-5-7-17(16)24(18)3;1-13(2)19(14-7-9-15(10-8-14)20(25)24-27)23-21(26)17-11-12-22-18-6-4-3-5-16(17)18;1-11(2)18(12-3-5-13(6-4-12)19(25)24-27)23-20(26)17-10-14-9-15(21)7-8-16(14)22-17;1-11(12-6-8-13(9-7-12)17(21)20-23)19-18(22)15-10-24-16-5-3-2-4-14(15)16;1-3-4-13(10-5-7-11(8-6-10)16(23)21-25)20-17(24)14-9-12(18)15(19)22(14)2;1-3-4-12(16)14-9(2)10-5-7-11(8-6-10)13(17)15-18/h4-13,19,27H,1-3H3,(H,22,26)(H,23,25);3-13,19,27H,1-2H3,(H,23,26)(H,24,25);3-11,18,22,27H,1-2H3,(H,23,26)(H,24,25);2-11,23H,1H3,(H,19,22)(H,20,21);5-9,13,25H,3-4H2,1-2H3,(H,20,24)(H,21,23);5-9,18H,3-4H2,1-2H3,(H,14,16)(H,15,17)/t19-;;;;13-;/m1...1./s1.
What are the key properties of 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide?
4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide has a molecular weight of 2089.67 g/mol, XLogP of 19.99, 30 rotatable bonds, 19 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(butanoylamino)ethyl]-N-hydroxybenzamide;5-chloro-N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1H-indole-2-carboxamide;4,5-dichloro-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-methylpyrrole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-benzothiophene-3-carboxamide;N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide;N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 158765013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).