methyl 2-[(4-chlorobenzoyl)amino]benzoate

C15H12ClNO3 — CID 779970

IUPACmethyl 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
InChIKeyZYEPFICGIPSSPH-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.38
Rot. Bonds3

About methyl 2-[(4-chlorobenzoyl)amino]benzoate

methyl 2-[(4-chlorobenzoyl)amino]benzoate (PubChem CID 779970) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is methyl 2-[(4-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorobenzoyl)amino]benzoate
PubChem CID779970
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Namemethyl 2-[(4-chlorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18)
InChIKeyZYEPFICGIPSSPH-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-chlorobenzoyl)amino]benzoate (CID 779970) is methyl 2-[(4-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-chlorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-chlorobenzoyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[(4-chlorobenzoyl)amino]benzoate?
The InChIKey is ZYEPFICGIPSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h2-9H,1H3,(H,17,18).
What are the key properties of methyl 2-[(4-chlorobenzoyl)amino]benzoate?
methyl 2-[(4-chlorobenzoyl)amino]benzoate has a molecular weight of 289.72 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 779970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).