N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide

C23H21ClN2O5 — CID 2185661

IUPACN-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C23H21ClN2O5/c1-29-19-11-9-15(13-17(19)24)25-23(28)16-6-4-5-7-18(16)26-22(27)14-8-10-20(30-2)21(12-14)31-3/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBHKCWBGFYWLWEC-UHFFFAOYSA-N
MW440.88 g/mol
LogP4.87
Rot. Bonds7

About N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide

N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 2185661) has the molecular formula C23H21ClN2O5 and a molecular weight of 440.88 g/mol. Its IUPAC name is N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID2185661
Molecular FormulaC23H21ClN2O5
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC NameN-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C23H21ClN2O5/c1-29-19-11-9-15(13-17(19)24)25-23(28)16-6-4-5-7-18(16)26-22(27)14-8-10-20(30-2)21(12-14)31-3/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyBHKCWBGFYWLWEC-UHFFFAOYSA-N
XLogP4.87
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583240
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide (CID 2185661) is N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)cc1Cl.
What is the InChIKey of N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is BHKCWBGFYWLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5/c1-29-19-11-9-15(13-17(19)24)25-23(28)16-6-4-5-7-18(16)26-22(27)14-8-10-20(30-2)21(12-14)31-3/h4-13H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 440.88 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2185661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).