2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide

C20H17ClN2O2 — CID 86081867

IUPAC2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
SMILESCOc1ccc(Nc2ccccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c1-25-15-12-10-14(11-13-15)22-18-8-4-5-9-19(18)23-20(24)16-6-2-3-7-17(16)21/h2-13,22H,1H3,(H,23,24)
InChIKeyIHVNXQMYRPFDSR-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.34
Rot. Bonds5

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

2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide (PubChem CID 86081867) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
PubChem CID86081867
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
SMILESCOc1ccc(Nc2ccccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O2/c1-25-15-12-10-14(11-13-15)22-18-8-4-5-9-19(18)23-20(24)16-6-2-3-7-17(16)21/h2-13,22H,1H3,(H,23,24)
InChIKeyIHVNXQMYRPFDSR-UHFFFAOYSA-N
XLogP5.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilinophenyl)-2-chlorobenzamide
CID 86018002
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methoxyanilino)benzamide
CID 60509898
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
N-(2-anilinophenyl)-2-(2-methoxyanilino)benzamide
CID 23906809
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-(4-methoxyanilino)-N-(1,3-thiazol-2-yl)benzamide
CID 52612392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide (CID 86081867) is 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide is COc1ccc(Nc2ccccc2NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide?
The InChIKey is IHVNXQMYRPFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-15-12-10-14(11-13-15)22-18-8-4-5-9-19(18)23-20(24)16-6-2-3-7-17(16)21/h2-13,22H,1H3,(H,23,24).
What are the key properties of 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide?
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide has a molecular weight of 352.82 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide is sourced from PubChem (CID 86081867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).