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

C15H21ClN2O2 — CID 79110979

IUPAC3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-17-11-4-6-12(7-5-11)18(2)15(20)10-3-8-14(19)13(16)9-10/h3,8-9,11-12,17,19H,4-7H2,1-2H3
InChIKeyRHFNOPDJSCHWAZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.65
Rot. Bonds3

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

3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 79110979) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID79110979
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-17-11-4-6-12(7-5-11)18(2)15(20)10-3-8-14(19)13(16)9-10/h3,8-9,11-12,17,19H,4-7H2,1-2H3
InChIKeyRHFNOPDJSCHWAZ-UHFFFAOYSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
CID 63644238
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-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (CID 79110979) is 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(N(C)C(=O)c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is RHFNOPDJSCHWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-17-11-4-6-12(7-5-11)18(2)15(20)10-3-8-14(19)13(16)9-10/h3,8-9,11-12,17,19H,4-7H2,1-2H3.
What are the key properties of 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 79110979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).