3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C17H18N2O — CID 67610113

IUPAC3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESNC(=O)c1cccc(N)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H18N2O/c18-15-7-3-6-14(17(19)20)16(15)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5,18H2,(H2,19,20)
InChIKeyCLCAMQCZQBACBW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.91
Rot. Bonds2

About 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 67610113) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID67610113
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESNC(=O)c1cccc(N)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H18N2O/c18-15-7-3-6-14(17(19)20)16(15)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5,18H2,(H2,19,20)
InChIKeyCLCAMQCZQBACBW-UHFFFAOYSA-N
XLogP2.91
TPSA69.11 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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
3-amino-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzamide
CID 115935111
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 82488609
2-prop-1-ynyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 139463175
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide
CID 152583206
5-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-indene
CID 66253158
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 67610113) is 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is NC(=O)c1cccc(N)c1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is CLCAMQCZQBACBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-7-3-6-14(17(19)20)16(15)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10H,1-2,4-5,18H2,(H2,19,20).
What are the key properties of 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 67610113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).