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

C29H31ClN2O4 — CID 18753022

IUPAC4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Cl)c(C2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccccc32)c1
InChIInChI=1S/C29H31ClN2O4/c1-6-31(7-2)27(33)19-13-15-24(30)23(16-19)29(3)22-10-8-9-11-25(22)32(28(29)34)18-20-12-14-21(35-4)17-26(20)36-5/h8-17H,6-7,18H2,1-5H3
InChIKeyYFDJWOMXUSFOIA-UHFFFAOYSA-N
MW507.03 g/mol
LogP5.69
Rot. Bonds8

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

4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide (PubChem CID 18753022) has the molecular formula C29H31ClN2O4 and a molecular weight of 507.03 g/mol. Its IUPAC name is 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
PubChem CID18753022
Molecular FormulaC29H31ClN2O4
Molecular Weight507.03 g/mol
Exact Mass506.20
IUPAC Name4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(Cl)c(C2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccccc32)c1
InChIInChI=1S/C29H31ClN2O4/c1-6-31(7-2)27(33)19-13-15-24(30)23(16-19)29(3)22-10-8-9-11-25(22)32(28(29)34)18-20-12-14-21(35-4)17-26(20)36-5/h8-17H,6-7,18H2,1-5H3
InChIKeyYFDJWOMXUSFOIA-UHFFFAOYSA-N
XLogP5.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.03
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 18752949
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-[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
4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-cyclohexylbenzamide
CID 18752941
(2S,3R,4S,5R,6R)-3,4,5-triacetyl-6-[3-[[[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]benzoyl]-ethylamino]methyl]pyridin-1-ium-1-yl]-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid bromide
CID 86760812
5-chloro-3-[2-chloro-5-(2-methoxyethoxymethyl)phenyl]-1-[(2,4-dimethoxyphenyl)methyl]-3-methylindol-2-one
CID 10208686
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
N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]pyridine-3-carboxamide
CID 10303164
1-[[4-[bis(2-methylpropyl)amino]-2-methoxyphenyl]methyl]-5-chloro-3-(2-chlorophenyl)-3-methylindol-2-one
CID 15521775
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-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide
CID 91108844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide (CID 18753022) is 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(Cl)c(C2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccccc32)c1.
What is the InChIKey of 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide?
The InChIKey is YFDJWOMXUSFOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN2O4/c1-6-31(7-2)27(33)19-13-15-24(30)23(16-19)29(3)22-10-8-9-11-25(22)32(28(29)34)18-20-12-14-21(35-4)17-26(20)36-5/h8-17H,6-7,18H2,1-5H3.
What are the key properties of 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide?
4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide has a molecular weight of 507.03 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 18753022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).