N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide

C21H19ClN2O3 — CID 112986928

IUPACN-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3Cl)cc2)cc1OC
InChIInChI=1S/C21H19ClN2O3/c1-26-19-12-7-14(13-20(19)27-2)21(25)24-16-10-8-15(9-11-16)23-18-6-4-3-5-17(18)22/h3-13,23H,1-2H3,(H,24,25)
InChIKeyNXQSYPJHWZNLKN-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.35
Rot. Bonds6

About N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide

N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide (PubChem CID 112986928) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
PubChem CID112986928
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3Cl)cc2)cc1OC
InChIInChI=1S/C21H19ClN2O3/c1-26-19-12-7-14(13-20(19)27-2)21(25)24-16-10-8-15(9-11-16)23-18-6-4-3-5-17(18)22/h3-13,23H,1-2H3,(H,24,25)
InChIKeyNXQSYPJHWZNLKN-UHFFFAOYSA-N
XLogP5.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112990211
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
6-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128576
N-[4-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 23099178
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide (CID 112986928) is N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3Cl)cc2)cc1OC.
What is the InChIKey of N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is NXQSYPJHWZNLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-26-19-12-7-14(13-20(19)27-2)21(25)24-16-10-8-15(9-11-16)23-18-6-4-3-5-17(18)22/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide?
N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 382.85 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 112986928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).