3-amino-2-(naphthalen-2-ylamino)benzoic acid

C17H14N2O2 — CID 115934693

IUPAC3-amino-2-(naphthalen-2-ylamino)benzoic acid
SMILESNc1cccc(C(=O)O)c1Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O2/c18-15-7-3-6-14(17(20)21)16(15)19-13-9-8-11-4-1-2-5-12(11)10-13/h1-10,19H,18H2,(H,20,21)
InChIKeyNRKPUHJEAMGSTE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.86
Rot. Bonds3

About 3-amino-2-(naphthalen-2-ylamino)benzoic acid

3-amino-2-(naphthalen-2-ylamino)benzoic acid (PubChem CID 115934693) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-amino-2-(naphthalen-2-ylamino)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(naphthalen-2-ylamino)benzoic acid
PubChem CID115934693
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-amino-2-(naphthalen-2-ylamino)benzoic acid
SMILESNc1cccc(C(=O)O)c1Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O2/c18-15-7-3-6-14(17(20)21)16(15)19-13-9-8-11-4-1-2-5-12(11)10-13/h1-10,19H,18H2,(H,20,21)
InChIKeyNRKPUHJEAMGSTE-UHFFFAOYSA-N
XLogP3.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(3-chloro-4-fluoroanilino)benzoic acid
CID 112577948
(naphthalen-2-ylamino) 2-aminobenzoate
CID 175356662
2-(naphthalen-2-ylamino)benzamide
CID 70089831
3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
methyl 3-amino-2-(4-methoxyanilino)benzoate
CID 115933795
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2-[(4-aminoanthracen-2-yl)amino]benzoic acid
CID 141063640
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
2-amino-5-(2,6-diethylanilino)benzoic acid
CID 60989372
3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
CID 115935321
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(naphthalen-2-ylamino)benzoic acid?
The IUPAC name of 3-amino-2-(naphthalen-2-ylamino)benzoic acid (CID 115934693) is 3-amino-2-(naphthalen-2-ylamino)benzoic acid.
What is the SMILES notation for 3-amino-2-(naphthalen-2-ylamino)benzoic acid?
The canonical SMILES for 3-amino-2-(naphthalen-2-ylamino)benzoic acid is Nc1cccc(C(=O)O)c1Nc1ccc2ccccc2c1.
What is the InChIKey of 3-amino-2-(naphthalen-2-ylamino)benzoic acid?
The InChIKey is NRKPUHJEAMGSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-15-7-3-6-14(17(20)21)16(15)19-13-9-8-11-4-1-2-5-12(11)10-13/h1-10,19H,18H2,(H,20,21).
What are the key properties of 3-amino-2-(naphthalen-2-ylamino)benzoic acid?
3-amino-2-(naphthalen-2-ylamino)benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(naphthalen-2-ylamino)benzoic acid is sourced from PubChem (CID 115934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).