4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide

C113H120N18O12 — CID 157374783

IUPAC4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(N)=O)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1.CNC(=O)c1ccc(CN2CCCc3cc(NC(C)=O)ccc32)cc1.CNC(=O)c1ccc(CN2CCc3cc(NC(C)=O)ccc32)cc1.CNC(=O)c1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1
InChIInChI=1S/C20H23N3O2.C19H21N3O2.C19H19N3O2.C19H21N3O2.C18H19N3O2.C18H17N3O2/c1-14(24)22-18-9-10-19-17(12-18)4-3-11-23(19)13-15-5-7-16(8-6-15)20(25)21-2;2*1-13(23)21-17-7-8-18-16(11-17)9-10-22(18)12-14-3-5-15(6-4-14)19(24)20-2;1-13(23)21-17-8-9-18-16(11-17)3-2-10-22(18)12-14-4-6-15(7-5-14)19(20)24;2*1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,25)(H,22,24);3-8,11H,9-10,12H2,1-2H3,(H,20,24)(H,21,23);3-11H,12H2,1-2H3,(H,20,24)(H,21,23);4-9,11H,2-3,10,12H2,1H3,(H2,20,24)(H,21,23);2-7,10H,8-9,11H2,1H3,(H2,19,23)(H,20,22);2-10H,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyBKEQOKFMEKVNJO-UHFFFAOYSA-N
MW1922.32 g/mol
LogP16.28
Rot. Bonds24

About 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide

4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide (PubChem CID 157374783) has the molecular formula C113H120N18O12 and a molecular weight of 1922.32 g/mol. Its IUPAC name is 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide
PubChem CID157374783
Molecular FormulaC113H120N18O12
Molecular Weight1922.32 g/mol
Exact Mass1920.93
IUPAC Name4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(N)=O)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1.CNC(=O)c1ccc(CN2CCCc3cc(NC(C)=O)ccc32)cc1.CNC(=O)c1ccc(CN2CCc3cc(NC(C)=O)ccc32)cc1.CNC(=O)c1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1
InChIInChI=1S/C20H23N3O2.C19H21N3O2.C19H19N3O2.C19H21N3O2.C18H19N3O2.C18H17N3O2/c1-14(24)22-18-9-10-19-17(12-18)4-3-11-23(19)13-15-5-7-16(8-6-15)20(25)21-2;2*1-13(23)21-17-7-8-18-16(11-17)9-10-22(18)12-14-3-5-15(6-4-14)19(24)20-2;1-13(23)21-17-8-9-18-16(11-17)3-2-10-22(18)12-14-4-6-15(7-5-14)19(20)24;2*1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,25)(H,22,24);3-8,11H,9-10,12H2,1-2H3,(H,20,24)(H,21,23);3-11H,12H2,1-2H3,(H,20,24)(H,21,23);4-9,11H,2-3,10,12H2,1H3,(H2,20,24)(H,21,23);2-7,10H,8-9,11H2,1H3,(H2,19,23)(H,20,22);2-10H,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyBKEQOKFMEKVNJO-UHFFFAOYSA-N
XLogP16.28
TPSA413.99 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001922.32
LogP ≤ 516.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide with MolForge

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Related Compounds

4-fluoro-N-[3-[1-[6-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]hexyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881617
4-fluoro-N-[3-[1-[9-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]nonyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881618
4-fluoro-N-[3-[1-[7-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]heptyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882193
4-fluoro-N-[3-[1-[(E)-4-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]but-2-enyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881550
4-fluoro-N-[3-[1-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881552
4-fluoro-N-[3-[1-[11-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]undecyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881619
4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881687
4-fluoro-N-[3-[1-[3-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882192
4-fluoro-N-[3-[1-[10-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]decyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882266
4-fluoro-N-[3-[1-[12-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]dodecyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882267
[3-[2-[6-[3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]phenyl]-1H-indol-3-yl]-2,3-dihydro-1H-indol-6-yl]phenyl]-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 70693944
US9765056, Example 10
CID 90645870

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide (CID 157374783) is 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide is CC(=O)Nc1ccc2c(c1)CCCN2Cc1ccc(C(N)=O)cc1.CC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(C(N)=O)cc1.CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1.CNC(=O)c1ccc(CN2CCCc3cc(NC(C)=O)ccc32)cc1.CNC(=O)c1ccc(CN2CCc3cc(NC(C)=O)ccc32)cc1.CNC(=O)c1ccc(Cn2ccc3cc(NC(C)=O)ccc32)cc1.
What is the InChIKey of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide?
The InChIKey is BKEQOKFMEKVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.C19H21N3O2.C19H19N3O2.C19H21N3O2.C18H19N3O2.C18H17N3O2/c1-14(24)22-18-9-10-19-17(12-18)4-3-11-23(19)13-15-5-7-16(8-6-15)20(25)21-2;2*1-13(23)21-17-7-8-18-16(11-17)9-10-22(18)12-14-3-5-15(6-4-14)19(24)20-2;1-13(23)21-17-8-9-18-16(11-17)3-2-10-22(18)12-14-4-6-15(7-5-14)19(20)24;2*1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h5-10,12H,3-4,11,13H2,1-2H3,(H,21,25)(H,22,24);3-8,11H,9-10,12H2,1-2H3,(H,20,24)(H,21,23);3-11H,12H2,1-2H3,(H,20,24)(H,21,23);4-9,11H,2-3,10,12H2,1H3,(H2,20,24)(H,21,23);2-7,10H,8-9,11H2,1H3,(H2,19,23)(H,20,22);2-10H,11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide?
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide has a molecular weight of 1922.32 g/mol, XLogP of 16.28, 24 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide;4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]-N-methylbenzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]benzamide;4-[(6-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide;4-[(5-acetamidoindol-1-yl)methyl]benzamide;4-[(5-acetamidoindol-1-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 157374783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).