3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide

C15H20ClNO3 — CID 110125598

IUPAC3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(Cl)c2)[C@H]1O
InChIInChI=1S/C15H20ClNO3/c1-17(12-7-4-8-13(20-2)14(12)18)15(19)10-5-3-6-11(16)9-10/h3,5-6,9,12-14,18H,4,7-8H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeySLPYGJWTGFJPMQ-MGPQQGTHSA-N
MW297.78 g/mol
LogP2.34
Rot. Bonds3

About 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide

3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide (PubChem CID 110125598) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
PubChem CID110125598
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(Cl)c2)[C@H]1O
InChIInChI=1S/C15H20ClNO3/c1-17(12-7-4-8-13(20-2)14(12)18)15(19)10-5-3-6-11(16)9-10/h3,5-6,9,12-14,18H,4,7-8H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeySLPYGJWTGFJPMQ-MGPQQGTHSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
CID 110143758
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)-methylamino]cyclohexane-1-carboxylate
CID 118319568
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N,1-dimethylpyrrole-2-carboxamide
CID 110126014
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110166183
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide
CID 110125701
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N,6-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 110125681
2-[cyclopentyl(methyl)amino]-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylacetamide
CID 110125700
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-N-methylpyrimidine-4-carboxamide
CID 110126055
(1S,2R,6S)-2-[benzyl(methyl)amino]-6-methoxycyclohexan-1-ol
CID 67880117

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide (CID 110125598) is 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(Cl)c2)[C@H]1O.
What is the InChIKey of 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide?
The InChIKey is SLPYGJWTGFJPMQ-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-17(12-7-4-8-13(20-2)14(12)18)15(19)10-5-3-6-11(16)9-10/h3,5-6,9,12-14,18H,4,7-8H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide?
3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 110125598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).