3-amino-2-(naphthalen-1-ylamino)benzamide

C17H15N3O — CID 115933816

IUPAC3-amino-2-(naphthalen-1-ylamino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O/c18-14-9-4-8-13(17(19)21)16(14)20-15-10-3-6-11-5-1-2-7-12(11)15/h1-10,20H,18H2,(H2,19,21)
InChIKeyGFRBPEBCDQSUBL-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-2-(naphthalen-1-ylamino)benzamide

3-amino-2-(naphthalen-1-ylamino)benzamide (PubChem CID 115933816) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-amino-2-(naphthalen-1-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-2-(naphthalen-1-ylamino)benzamide
PubChem CID115933816
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-amino-2-(naphthalen-1-ylamino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1cccc2ccccc12
InChIInChI=1S/C17H15N3O/c18-14-9-4-8-13(17(19)21)16(14)20-15-10-3-6-11-5-1-2-7-12(11)15/h1-10,20H,18H2,(H2,19,21)
InChIKeyGFRBPEBCDQSUBL-UHFFFAOYSA-N
XLogP3.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.26
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

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3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
CID 129133768
CID 129133768
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
2-(naphthalen-1-ylamino)benzoyl chloride
CID 54450707
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
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naphthalen-1-ylurea;hydrochloride
CID 141142203

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(naphthalen-1-ylamino)benzamide?
The IUPAC name of 3-amino-2-(naphthalen-1-ylamino)benzamide (CID 115933816) is 3-amino-2-(naphthalen-1-ylamino)benzamide.
What is the SMILES notation for 3-amino-2-(naphthalen-1-ylamino)benzamide?
The canonical SMILES for 3-amino-2-(naphthalen-1-ylamino)benzamide is NC(=O)c1cccc(N)c1Nc1cccc2ccccc12.
What is the InChIKey of 3-amino-2-(naphthalen-1-ylamino)benzamide?
The InChIKey is GFRBPEBCDQSUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-14-9-4-8-13(17(19)21)16(14)20-15-10-3-6-11-5-1-2-7-12(11)15/h1-10,20H,18H2,(H2,19,21).
What are the key properties of 3-amino-2-(naphthalen-1-ylamino)benzamide?
3-amino-2-(naphthalen-1-ylamino)benzamide has a molecular weight of 277.33 g/mol, XLogP of 3.26, 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-1-ylamino)benzamide is sourced from PubChem (CID 115933816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).