4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide

C31H32Cl2N2O4 — CID 18752941

IUPAC4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
SMILESCOc1ccc(CN2C(=O)C(C)(c3cc(C(=O)NC4CCCCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C31H32Cl2N2O4/c1-31(24-15-19(10-13-26(24)33)29(36)34-22-7-5-4-6-8-22)25-16-21(32)11-14-27(25)35(30(31)37)18-20-9-12-23(38-2)17-28(20)39-3/h9-17,22H,4-8,18H2,1-3H3,(H,34,36)
InChIKeyCSIXWVUSWKNWLT-UHFFFAOYSA-N
MW567.51 g/mol
LogP6.93
Rot. Bonds7

About 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide

4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide (PubChem CID 18752941) has the molecular formula C31H32Cl2N2O4 and a molecular weight of 567.51 g/mol. Its IUPAC name is 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
PubChem CID18752941
Molecular FormulaC31H32Cl2N2O4
Molecular Weight567.51 g/mol
Exact Mass566.17
IUPAC Name4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
SMILESCOc1ccc(CN2C(=O)C(C)(c3cc(C(=O)NC4CCCCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C31H32Cl2N2O4/c1-31(24-15-19(10-13-26(24)33)29(36)34-22-7-5-4-6-8-22)25-16-21(32)11-14-27(25)35(30(31)37)18-20-9-12-23(38-2)17-28(20)39-3/h9-17,22H,4-8,18H2,1-3H3,(H,34,36)
InChIKeyCSIXWVUSWKNWLT-UHFFFAOYSA-N
XLogP6.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.51
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[2-chloro-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 20610854
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 18752949
5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 10208686
N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide
CID 10303164
1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide
CID 18752943
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-pyridin-2-ylethyl)benzamide;hydrochloride
CID 18752965
4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide
CID 91108844
4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
CID 18753022
5-chloro-3-[2-chloro-5-(2-morpholin-4-ylethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 10303809
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide
CID 68820181
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-1-ium-3-yl]methyl]benzamide
CID 11664964
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide?
The IUPAC name of 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide (CID 18752941) is 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide.
What is the SMILES notation for 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide?
The canonical SMILES for 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide is COc1ccc(CN2C(=O)C(C)(c3cc(C(=O)NC4CCCCC4)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide?
The InChIKey is CSIXWVUSWKNWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2N2O4/c1-31(24-15-19(10-13-26(24)33)29(36)34-22-7-5-4-6-8-22)25-16-21(32)11-14-27(25)35(30(31)37)18-20-9-12-23(38-2)17-28(20)39-3/h9-17,22H,4-8,18H2,1-3H3,(H,34,36).
What are the key properties of 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide?
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide has a molecular weight of 567.51 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide is sourced from PubChem (CID 18752941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).