2-(N-methylanilino)benzoic acid

C14H13NO2 — CID 12622276

IUPAC2-(N-methylanilino)benzoic acid
SMILESCN(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17/h2-10H,1H3,(H,16,17)
InChIKeyRGHUOXSZSHFHAN-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.15
Rot. Bonds3

About 2-(N-methylanilino)benzoic acid

2-(N-methylanilino)benzoic acid (PubChem CID 12622276) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(N-methylanilino)benzoic acid.

Molecular Properties

Compound Name2-(N-methylanilino)benzoic acid
PubChem CID12622276
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(N-methylanilino)benzoic acid
SMILESCN(c1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17/h2-10H,1H3,(H,16,17)
InChIKeyRGHUOXSZSHFHAN-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)benzoic acid?
The IUPAC name of 2-(N-methylanilino)benzoic acid (CID 12622276) is 2-(N-methylanilino)benzoic acid.
What is the SMILES notation for 2-(N-methylanilino)benzoic acid?
The canonical SMILES for 2-(N-methylanilino)benzoic acid is CN(c1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-(N-methylanilino)benzoic acid?
The InChIKey is RGHUOXSZSHFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17/h2-10H,1H3,(H,16,17).
What are the key properties of 2-(N-methylanilino)benzoic acid?
2-(N-methylanilino)benzoic acid has a molecular weight of 227.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)benzoic acid is sourced from PubChem (CID 12622276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).