2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide

C17H24ClNO3 — CID 110003292

IUPAC2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC2CCCCC2O)c(Cl)c1
InChIInChI=1S/C17H24ClNO3/c1-19(11-13-5-3-4-6-16(13)20)17(21)9-12-7-8-14(22-2)10-15(12)18/h7-8,10,13,16,20H,3-6,9,11H2,1-2H3
InChIKeyXJJCDQFQMUNZTO-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide

2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide (PubChem CID 110003292) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
PubChem CID110003292
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC2CCCCC2O)c(Cl)c1
InChIInChI=1S/C17H24ClNO3/c1-19(11-13-5-3-4-6-16(13)20)17(21)9-12-7-8-14(22-2)10-15(12)18/h7-8,10,13,16,20H,3-6,9,11H2,1-2H3
InChIKeyXJJCDQFQMUNZTO-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 110003368
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
CID 109399821
2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
CID 110769985
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
2-(2-chloro-4-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110769973
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 110003767
(2-chloro-4-methoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170143
3-(4-chlorophenyl)-3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylpropanamide
CID 110003754

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide (CID 110003292) is 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide is COc1ccc(CC(=O)N(C)CC2CCCCC2O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide?
The InChIKey is XJJCDQFQMUNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-19(11-13-5-3-4-6-16(13)20)17(21)9-12-7-8-14(22-2)10-15(12)18/h7-8,10,13,16,20H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide?
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide has a molecular weight of 325.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide is sourced from PubChem (CID 110003292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).