N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide

C17H17ClN2O — CID 118694639

IUPACN-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide
SMILESNC1CCc2cc(NC(=O)c3ccccc3Cl)ccc2C1
InChIInChI=1S/C17H17ClN2O/c18-16-4-2-1-3-15(16)17(21)20-14-8-6-11-9-13(19)7-5-12(11)10-14/h1-4,6,8,10,13H,5,7,9,19H2,(H,20,21)
InChIKeyJDKKOFJSWNZDKR-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.41
Rot. Bonds2

About N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide

N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide (PubChem CID 118694639) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide
PubChem CID118694639
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide
SMILESNC1CCc2cc(NC(=O)c3ccccc3Cl)ccc2C1
InChIInChI=1S/C17H17ClN2O/c18-16-4-2-1-3-15(16)17(21)20-14-8-6-11-9-13(19)7-5-12(11)10-14/h1-4,6,8,10,13H,5,7,9,19H2,(H,20,21)
InChIKeyJDKKOFJSWNZDKR-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
CID 129111805
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
N-(2-amino-2,3-dihydro-1H-inden-5-yl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 59943949
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359820

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide?
The IUPAC name of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide (CID 118694639) is N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide?
The canonical SMILES for N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide is NC1CCc2cc(NC(=O)c3ccccc3Cl)ccc2C1.
What is the InChIKey of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide?
The InChIKey is JDKKOFJSWNZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-16-4-2-1-3-15(16)17(21)20-14-8-6-11-9-13(19)7-5-12(11)10-14/h1-4,6,8,10,13H,5,7,9,19H2,(H,20,21).
What are the key properties of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide?
N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide has a molecular weight of 300.79 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 118694639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).