N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide

C14H19ClN2O — CID 79121715

IUPACN-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(N)CC1
InChIInChI=1S/C14H19ClN2O/c1-17(13-8-6-12(16)7-9-13)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9,16H2,1H3
InChIKeyRFMXLNPDXMADLY-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.68
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide

N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide (PubChem CID 79121715) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
PubChem CID79121715
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCC(N)CC1
InChIInChI=1S/C14H19ClN2O/c1-17(13-8-6-12(16)7-9-13)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9,16H2,1H3
InChIKeyRFMXLNPDXMADLY-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79121804
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
CID 75454393

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide (CID 79121715) is N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide?
The InChIKey is RFMXLNPDXMADLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-17(13-8-6-12(16)7-9-13)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide?
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide has a molecular weight of 266.77 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide is sourced from PubChem (CID 79121715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).