3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

C17H18N2O — CID 62304579

IUPAC3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H18N2O/c18-15-7-3-6-14(10-15)17(20)19-16-9-8-12-4-1-2-5-13(12)11-16/h1-7,10,16H,8-9,11,18H2,(H,19,20)
InChIKeyAOWKKYWNFYGROR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.56
Rot. Bonds2

About 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide

3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 62304579) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
PubChem CID62304579
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
SMILESNc1cccc(C(=O)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H18N2O/c18-15-7-3-6-14(10-15)17(20)19-16-9-8-12-4-1-2-5-13(12)11-16/h1-7,10,16H,8-9,11,18H2,(H,19,20)
InChIKeyAOWKKYWNFYGROR-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
CID 64525278
2,6-difluoro-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271360
2,6-difluoro-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271362
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
N-(2,3-dihydro-1H-inden-2-yl)-3-sulfanylbenzamide
CID 107854750

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 62304579) is 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is Nc1cccc(C(=O)NC2CCc3ccccc3C2)c1.
What is the InChIKey of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is AOWKKYWNFYGROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-7-3-6-14(10-15)17(20)19-16-9-8-12-4-1-2-5-13(12)11-16/h1-7,10,16H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide?
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 62304579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).