4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide

C23H21ClN2O3 — CID 31967245

IUPAC4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(CC(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C23H21ClN2O3/c1-15-7-8-16(13-21(15)29-2)14-22(27)25-19-5-3-4-6-20(19)26-23(28)17-9-11-18(24)12-10-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRVNSQGVQJXKSGA-UHFFFAOYSA-N
MW408.89 g/mol
LogP5.09
Rot. Bonds6

About 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide

4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide (PubChem CID 31967245) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
PubChem CID31967245
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(CC(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C23H21ClN2O3/c1-15-7-8-16(13-21(15)29-2)14-22(27)25-19-5-3-4-6-20(19)26-23(28)17-9-11-18(24)12-10-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRVNSQGVQJXKSGA-UHFFFAOYSA-N
XLogP5.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
2-(3-methoxy-4-methylphenyl)-N-(2-phenylphenyl)acetamide
CID 17476881
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-4-methoxy-3-methylbenzamide
CID 100763591
N-(4-bromo-2-chlorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 24555278
N-[4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26877905
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide (CID 31967245) is 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide is COc1cc(CC(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1C.
What is the InChIKey of 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide?
The InChIKey is RVNSQGVQJXKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15-7-8-16(13-21(15)29-2)14-22(27)25-19-5-3-4-6-20(19)26-23(28)17-9-11-18(24)12-10-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide?
4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide has a molecular weight of 408.89 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 31967245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).