4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid

C15H11Cl2NO3 — CID 17171886

IUPAC4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2NO3/c16-12-6-5-11(7-13(12)17)14(19)18-8-9-1-3-10(4-2-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyUETRIHHPEVHTMX-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.62
Rot. Bonds4

About 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid

4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid (PubChem CID 17171886) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid
PubChem CID17171886
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2NO3/c16-12-6-5-11(7-13(12)17)14(19)18-8-9-1-3-10(4-2-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyUETRIHHPEVHTMX-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid (CID 17171886) is 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid?
The InChIKey is UETRIHHPEVHTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-12-6-5-11(7-13(12)17)14(19)18-8-9-1-3-10(4-2-9)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid?
4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid has a molecular weight of 324.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dichlorobenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 17171886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).