(naphthalen-2-ylamino) 2-aminobenzoate

C17H14N2O2 — CID 175356662

IUPAC(naphthalen-2-ylamino) 2-aminobenzoate
SMILESNc1ccccc1C(=O)ONc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O2/c18-16-8-4-3-7-15(16)17(20)21-19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,18H2
InChIKeyNNHQASIVXOWZRS-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.61
Rot. Bonds3

About (naphthalen-2-ylamino) 2-aminobenzoate

(naphthalen-2-ylamino) 2-aminobenzoate (PubChem CID 175356662) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (naphthalen-2-ylamino) 2-aminobenzoate.

Molecular Properties

Compound Name(naphthalen-2-ylamino) 2-aminobenzoate
PubChem CID175356662
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(naphthalen-2-ylamino) 2-aminobenzoate
SMILESNc1ccccc1C(=O)ONc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2O2/c18-16-8-4-3-7-15(16)17(20)21-19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,18H2
InChIKeyNNHQASIVXOWZRS-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(naphthalen-2-ylamino)benzoic acid
CID 115934693
(carbamoylamino) 2-aminobenzoate
CID 86633295
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149341
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
2-(naphthalen-2-ylamino)benzamide
CID 70089831
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate
CID 5230810
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527

Frequently Asked Questions

What is the IUPAC name of (naphthalen-2-ylamino) 2-aminobenzoate?
The IUPAC name of (naphthalen-2-ylamino) 2-aminobenzoate (CID 175356662) is (naphthalen-2-ylamino) 2-aminobenzoate.
What is the SMILES notation for (naphthalen-2-ylamino) 2-aminobenzoate?
The canonical SMILES for (naphthalen-2-ylamino) 2-aminobenzoate is Nc1ccccc1C(=O)ONc1ccc2ccccc2c1.
What is the InChIKey of (naphthalen-2-ylamino) 2-aminobenzoate?
The InChIKey is NNHQASIVXOWZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-16-8-4-3-7-15(16)17(20)21-19-14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,18H2.
What are the key properties of (naphthalen-2-ylamino) 2-aminobenzoate?
(naphthalen-2-ylamino) 2-aminobenzoate has a molecular weight of 278.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-2-ylamino) 2-aminobenzoate is sourced from PubChem (CID 175356662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).