N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide

C24H22ClN3O5 — CID 24635188

IUPACN-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H22ClN3O5/c1-32-20-13-19(28-24(31)15-7-4-3-5-8-15)21(33-2)12-18(20)27-22(29)14-26-23(30)16-9-6-10-17(25)11-16/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyUGCMDWHGHVIBSV-UHFFFAOYSA-N
MW467.91 g/mol
LogP3.98
Rot. Bonds8

About N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide

N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide (PubChem CID 24635188) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
PubChem CID24635188
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC NameN-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C24H22ClN3O5/c1-32-20-13-19(28-24(31)15-7-4-3-5-8-15)21(33-2)12-18(20)27-22(29)14-26-23(30)16-9-6-10-17(25)11-16/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyUGCMDWHGHVIBSV-UHFFFAOYSA-N
XLogP3.98
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide (CID 24635188) is N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is UGCMDWHGHVIBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-32-20-13-19(28-24(31)15-7-4-3-5-8-15)21(33-2)12-18(20)27-22(29)14-26-23(30)16-9-6-10-17(25)11-16/h3-13H,14H2,1-2H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide?
N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 467.91 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 24635188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).