4-chloro-N-(3-methoxyphenyl)benzamide

C28H24Cl2N2O4 — CID 139075356

IUPAC4-chloro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(Cl)cc2)c1.COc1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/2C14H12ClNO2/c2*1-18-13-4-2-3-12(9-13)16-14(17)10-5-7-11(15)8-6-10/h2*2-9H,1H3,(H,16,17)
InChIKeySPUZRZROOGFKIF-UHFFFAOYSA-N
MW523.42 g/mol
LogP7.20
Rot. Bonds6

About 4-chloro-N-(3-methoxyphenyl)benzamide

4-chloro-N-(3-methoxyphenyl)benzamide (PubChem CID 139075356) has the molecular formula C28H24Cl2N2O4 and a molecular weight of 523.42 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxyphenyl)benzamide
PubChem CID139075356
Molecular FormulaC28H24Cl2N2O4
Molecular Weight523.42 g/mol
Exact Mass522.11
IUPAC Name4-chloro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(Cl)cc2)c1.COc1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/2C14H12ClNO2/c2*1-18-13-4-2-3-12(9-13)16-14(17)10-5-7-11(15)8-6-10/h2*2-9H,1H3,(H,16,17)
InChIKeySPUZRZROOGFKIF-UHFFFAOYSA-N
XLogP7.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.42
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3-methoxyphenyl)benzamide (CID 139075356) is 4-chloro-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(Cl)cc2)c1.COc1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-(3-methoxyphenyl)benzamide?
The InChIKey is SPUZRZROOGFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12ClNO2/c2*1-18-13-4-2-3-12(9-13)16-14(17)10-5-7-11(15)8-6-10/h2*2-9H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(3-methoxyphenyl)benzamide?
4-chloro-N-(3-methoxyphenyl)benzamide has a molecular weight of 523.42 g/mol, XLogP of 7.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 139075356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).