3-benzamido-5-(3-chlorophenyl)benzoic acid

C20H14ClNO3 — CID 171782841

IUPAC3-benzamido-5-(3-chlorophenyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C20H14ClNO3/c21-17-8-4-7-14(10-17)15-9-16(20(24)25)12-18(11-15)22-19(23)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyNDEYSWFTJUFYCO-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.96
Rot. Bonds4

About 3-benzamido-5-(3-chlorophenyl)benzoic acid

3-benzamido-5-(3-chlorophenyl)benzoic acid (PubChem CID 171782841) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-benzamido-5-(3-chlorophenyl)benzoic acid.

Molecular Properties

Compound Name3-benzamido-5-(3-chlorophenyl)benzoic acid
PubChem CID171782841
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name3-benzamido-5-(3-chlorophenyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C20H14ClNO3/c21-17-8-4-7-14(10-17)15-9-16(20(24)25)12-18(11-15)22-19(23)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyNDEYSWFTJUFYCO-UHFFFAOYSA-N
XLogP4.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-(3-chlorophenyl)benzoic acid?
The IUPAC name of 3-benzamido-5-(3-chlorophenyl)benzoic acid (CID 171782841) is 3-benzamido-5-(3-chlorophenyl)benzoic acid.
What is the SMILES notation for 3-benzamido-5-(3-chlorophenyl)benzoic acid?
The canonical SMILES for 3-benzamido-5-(3-chlorophenyl)benzoic acid is O=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-benzamido-5-(3-chlorophenyl)benzoic acid?
The InChIKey is NDEYSWFTJUFYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-17-8-4-7-14(10-17)15-9-16(20(24)25)12-18(11-15)22-19(23)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 3-benzamido-5-(3-chlorophenyl)benzoic acid?
3-benzamido-5-(3-chlorophenyl)benzoic acid has a molecular weight of 351.79 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-(3-chlorophenyl)benzoic acid is sourced from PubChem (CID 171782841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).