N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide

C21H19ClN2O3 — CID 112987245

IUPACN-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3OC)cc2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-26-18-10-3-14(4-11-18)21(25)24-17-8-6-16(7-9-17)23-19-13-15(22)5-12-20(19)27-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyZKPNKLZRBXJQCQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.35
Rot. Bonds6

About N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide

N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide (PubChem CID 112987245) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
PubChem CID112987245
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3OC)cc2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-26-18-10-3-14(4-11-18)21(25)24-17-8-6-16(7-9-17)23-19-13-15(22)5-12-20(19)27-2/h3-13,23H,1-2H3,(H,24,25)
InChIKeyZKPNKLZRBXJQCQ-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

5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
3-chloro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 46323153
2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide (CID 112987245) is N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cc(Cl)ccc3OC)cc2)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide?
The InChIKey is ZKPNKLZRBXJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-26-18-10-3-14(4-11-18)21(25)24-17-8-6-16(7-9-17)23-19-13-15(22)5-12-20(19)27-2/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide?
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide 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-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112987245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).