N-(4-aminocyclohexyl)-3-chlorobenzamide

C13H17ClN2O — CID 62313478

IUPACN-(4-aminocyclohexyl)-3-chlorobenzamide
SMILESNC1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-3,8,11-12H,4-7,15H2,(H,16,17)
InChIKeyKUSVIPMKCAQOPF-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.34
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-chlorobenzamide

N-(4-aminocyclohexyl)-3-chlorobenzamide (PubChem CID 62313478) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-chlorobenzamide
PubChem CID62313478
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(4-aminocyclohexyl)-3-chlorobenzamide
SMILESNC1CCC(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-3,8,11-12H,4-7,15H2,(H,16,17)
InChIKeyKUSVIPMKCAQOPF-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-chlorobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-chlorobenzamide (CID 62313478) is N-(4-aminocyclohexyl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-chlorobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-chlorobenzamide is NC1CCC(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-chlorobenzamide?
The InChIKey is KUSVIPMKCAQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12/h1-3,8,11-12H,4-7,15H2,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)-3-chlorobenzamide?
N-(4-aminocyclohexyl)-3-chlorobenzamide has a molecular weight of 252.74 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-chlorobenzamide is sourced from PubChem (CID 62313478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).