N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide

C24H23ClN2O4 — CID 54539819

IUPACN-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(Cl)cc3C)ccc2C)cc1OC
InChIInChI=1S/C24H23ClN2O4/c1-14-5-8-18(26-24(29)19-9-7-17(25)11-15(19)2)13-20(14)27-23(28)16-6-10-21(30-3)22(12-16)31-4/h5-13H,1-4H3,(H,26,29)(H,27,28)
InChIKeyZCIYHGACAFMOMW-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.48
Rot. Bonds6

About N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide

N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide (PubChem CID 54539819) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
PubChem CID54539819
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC NameN-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(Cl)cc3C)ccc2C)cc1OC
InChIInChI=1S/C24H23ClN2O4/c1-14-5-8-18(26-24(29)19-9-7-17(25)11-15(19)2)13-20(14)27-23(28)16-6-10-21(30-3)22(12-16)31-4/h5-13H,1-4H3,(H,26,29)(H,27,28)
InChIKeyZCIYHGACAFMOMW-UHFFFAOYSA-N
XLogP5.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257099
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide (CID 54539819) is N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(Cl)cc3C)ccc2C)cc1OC.
What is the InChIKey of N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
The InChIKey is ZCIYHGACAFMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-14-5-8-18(26-24(29)19-9-7-17(25)11-15(19)2)13-20(14)27-23(28)16-6-10-21(30-3)22(12-16)31-4/h5-13H,1-4H3,(H,26,29)(H,27,28).
What are the key properties of N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide?
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide has a molecular weight of 438.91 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 54539819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).