2-(N-anilino-C-methylcarbonimidoyl)benzoic acid

C15H14N2O2 — CID 2768362

IUPAC2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
SMILESCC(=NNc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O2/c1-11(16-17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyCRAXNVSMZGHDOX-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.22
Rot. Bonds4

About 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid

2-(N-anilino-C-methylcarbonimidoyl)benzoic acid (PubChem CID 2768362) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid.

Molecular Properties

Compound Name2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
PubChem CID2768362
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
SMILESCC(=NNc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H14N2O2/c1-11(16-17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)15(18)19/h2-10,17H,1H3,(H,18,19)
InChIKeyCRAXNVSMZGHDOX-UHFFFAOYSA-N
XLogP3.22
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
CID 66717184
CID 66717184
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
4-[(E)-N-anilino-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 46229692
2-(C-methyl-N-propan-2-ylcarbonimidoyl)benzoic acid
CID 118860081
2-[C-methyl-N-(1-phenylethylideneamino)carbonimidoyl]benzoic acid
CID 90730243
N'-anilino-2-oxopropanimidamide
CID 6340113
N-[1-[2-(furan-2-yl)phenyl]ethylideneamino]aniline
CID 168528415
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745

Frequently Asked Questions

What is the IUPAC name of 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid?
The IUPAC name of 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid (CID 2768362) is 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid.
What is the SMILES notation for 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid?
The canonical SMILES for 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid is CC(=NNc1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid?
The InChIKey is CRAXNVSMZGHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(16-17-12-7-3-2-4-8-12)13-9-5-6-10-14(13)15(18)19/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid?
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid has a molecular weight of 254.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-anilino-C-methylcarbonimidoyl)benzoic acid is sourced from PubChem (CID 2768362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).