4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane

C41H37Cl6N7O6 — CID 157072742

IUPAC4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane
SMILESC1CCOC1.C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)C(=O)CNC(=O)c1ccc(Cl)cc1.C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16Cl3N3O3.C18H13Cl3N4O2.C4H8O/c1-10(26)18(25-14-7-4-12(8-23)16(21)17(14)22)15(27)9-24-19(28)11-2-5-13(20)6-3-11;1-9(26)16(23-13-7-4-11(8-22)14(20)15(13)21)18-25-24-17(27-18)10-2-5-12(19)6-3-10;1-2-4-5-3-1/h2-7,10,18,25-26H,9H2,1H3,(H,24,28);2-7,9,16,23,26H,1H3;1-4H2/t10-,18+;9-,16+;/m00./s1
InChIKeyACPUMRZAYCEPPL-DBOCUKIZSA-N
MW936.51 g/mol
LogP9.58
Rot. Bonds12

About 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane

4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane (PubChem CID 157072742) has the molecular formula C41H37Cl6N7O6 and a molecular weight of 936.51 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane.

Molecular Properties

Compound Name4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane
PubChem CID157072742
Molecular FormulaC41H37Cl6N7O6
Molecular Weight936.51 g/mol
Exact Mass933.09
IUPAC Name4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane
SMILESC1CCOC1.C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)C(=O)CNC(=O)c1ccc(Cl)cc1.C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H16Cl3N3O3.C18H13Cl3N4O2.C4H8O/c1-10(26)18(25-14-7-4-12(8-23)16(21)17(14)22)15(27)9-24-19(28)11-2-5-13(20)6-3-11;1-9(26)16(23-13-7-4-11(8-22)14(20)15(13)21)18-25-24-17(27-18)10-2-5-12(19)6-3-10;1-2-4-5-3-1/h2-7,10,18,25-26H,9H2,1H3,(H,24,28);2-7,9,16,23,26H,1H3;1-4H2/t10-,18+;9-,16+;/m00./s1
InChIKeyACPUMRZAYCEPPL-DBOCUKIZSA-N
XLogP9.58
TPSA206.42 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.51
LogP ≤ 59.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane with MolForge

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Related Compounds

2-chloro-4-[[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile
CID 67007036
N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide
CID 58433626
2-chloro-4-[[2-hydroxy-1-[5-[4-(hydroxymethyl)phenyl]-1,3,4-oxadiazol-2-yl]propyl]amino]-3-methylbenzonitrile
CID 77165927
2-chloro-4-[[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile
CID 67006124
2-chloro-4-[[(1S)-2-hydroxy-1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]-3-methylbenzonitrile
CID 68639379
2-chloro-4-[[(1R,2S)-2-hydroxy-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propyl]amino]-3-methylbenzonitrile
CID 166045132
4-[[(1R,2S)-2-hydroxy-1-[5-(4-nitrosophenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]-2-iodo-3-methylbenzonitrile
CID 88901929
2-chloro-4-[[(1R,2S)-2-hydroxy-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]benzonitrile
CID 166045143
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
benzoyl chloride;[4-[5-[(1R,2S)-2-benzoyloxy-1-(3-chloro-4-cyano-2-methylanilino)propyl]-1,3,4-oxadiazol-2-yl]phenyl] benzoate;2-chloro-4-[[(1R,2S)-2-hydroxy-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]amino]-3-methylbenzonitrile
CID 159167393
N-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(3-chloro-4-cyano-2-methylanilino)propyl]-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 72539616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane?
The IUPAC name of 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane (CID 157072742) is 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane.
What is the SMILES notation for 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane?
The canonical SMILES for 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane is C1CCOC1.C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)C(=O)CNC(=O)c1ccc(Cl)cc1.C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1Cl)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane?
The InChIKey is ACPUMRZAYCEPPL-DBOCUKIZSA-N. The full InChI is InChI=1S/C19H16Cl3N3O3.C18H13Cl3N4O2.C4H8O/c1-10(26)18(25-14-7-4-12(8-23)16(21)17(14)22)15(27)9-24-19(28)11-2-5-13(20)6-3-11;1-9(26)16(23-13-7-4-11(8-22)14(20)15(13)21)18-25-24-17(27-18)10-2-5-12(19)6-3-10;1-2-4-5-3-1/h2-7,10,18,25-26H,9H2,1H3,(H,24,28);2-7,9,16,23,26H,1H3;1-4H2/t10-,18+;9-,16+;/m00./s1.
What are the key properties of 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane?
4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane has a molecular weight of 936.51 g/mol, XLogP of 9.58, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4S)-3-(2,3-dichloro-4-cyanoanilino)-4-hydroxy-2-oxopentyl]benzamide;2,3-dichloro-4-[[(1R,2S)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]benzonitrile;oxolane is sourced from PubChem (CID 157072742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).