3-(anilinomethyl)benzoic acid

C14H13NO2 — CID 66979075

IUPAC3-(anilinomethyl)benzoic acid
SMILESO=C(O)c1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H13NO2/c16-14(17)12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,17)
InChIKeyOYVGWXUICDQOKV-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.00
Rot. Bonds4

About 3-(anilinomethyl)benzoic acid

3-(anilinomethyl)benzoic acid (PubChem CID 66979075) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(anilinomethyl)benzoic acid.

Molecular Properties

Compound Name3-(anilinomethyl)benzoic acid
PubChem CID66979075
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-(anilinomethyl)benzoic acid
SMILESO=C(O)c1cccc(CNc2ccccc2)c1
InChIInChI=1S/C14H13NO2/c16-14(17)12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,17)
InChIKeyOYVGWXUICDQOKV-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenylanthranilic Acid
CID 4386
Enfenamic Acid
CID 31635
p-Acetamidobenzoic acid
CID 19266
4-(Dimethylamino)benzoic acid
CID 12092
Phthalanilic acid
CID 78458
2-(Benzoylamino)benzoic acid
CID 68482
N-(2-carboxyphenyl)glycine
CID 69161
4-(Hexadecylamino)benzoic acid
CID 47263
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(Methylamino)benzoic acid
CID 67069
N-(3-Methylphenyl)anthranilic acid
CID 85472
N-(4-Methylphenyl)anthranilic acid
CID 152155

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)benzoic acid?
The IUPAC name of 3-(anilinomethyl)benzoic acid (CID 66979075) is 3-(anilinomethyl)benzoic acid.
What is the SMILES notation for 3-(anilinomethyl)benzoic acid?
The canonical SMILES for 3-(anilinomethyl)benzoic acid is O=C(O)c1cccc(CNc2ccccc2)c1.
What is the InChIKey of 3-(anilinomethyl)benzoic acid?
The InChIKey is OYVGWXUICDQOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,17).
What are the key properties of 3-(anilinomethyl)benzoic acid?
3-(anilinomethyl)benzoic acid has a molecular weight of 227.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)benzoic acid is sourced from PubChem (CID 66979075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).