3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide

C15H21ClN2O — CID 79110686

IUPAC3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-17-13-6-8-14(9-7-13)18(2)15(19)11-4-3-5-12(16)10-11/h3-5,10,13-14,17H,6-9H2,1-2H3
InChIKeyLGOPPRXOYPLBRV-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.94
Rot. Bonds3

About 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide

3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 79110686) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID79110686
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O/c1-17-13-6-8-14(9-7-13)18(2)15(19)11-4-3-5-12(16)10-11/h3-5,10,13-14,17H,6-9H2,1-2H3
InChIKeyLGOPPRXOYPLBRV-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)-methylamino]cyclohexane-1-carboxylate
CID 118319568
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
CID 110143758
N-methyl-N-[4-(methylamino)cyclohexyl]-1H-indole-5-carboxamide
CID 79117939
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
N-methyl-N-[4-(methylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79119316
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (CID 79110686) is 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(N(C)C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is LGOPPRXOYPLBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-13-6-8-14(9-7-13)18(2)15(19)11-4-3-5-12(16)10-11/h3-5,10,13-14,17H,6-9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 79110686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).