5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide

C16H22ClNO3 — CID 110003382

IUPAC5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C16H22ClNO3/c1-18(10-11-5-3-4-6-14(11)19)16(20)13-9-12(17)7-8-15(13)21-2/h7-9,11,14,19H,3-6,10H2,1-2H3
InChIKeyPOPHGVBJCSVGAW-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.97
Rot. Bonds4

About 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide

5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 110003382) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID110003382
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C16H22ClNO3/c1-18(10-11-5-3-4-6-14(11)19)16(20)13-9-12(17)7-8-15(13)21-2/h7-9,11,14,19H,3-6,10H2,1-2H3
InChIKeyPOPHGVBJCSVGAW-UHFFFAOYSA-N
XLogP2.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 80658337
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 76928902
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide (CID 110003382) is 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide is COc1ccc(Cl)cc1C(=O)N(C)CC1CCCCC1O.
What is the InChIKey of 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is POPHGVBJCSVGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-18(10-11-5-3-4-6-14(11)19)16(20)13-9-12(17)7-8-15(13)21-2/h7-9,11,14,19H,3-6,10H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide?
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 110003382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).