2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide

C16H22ClNO2 — CID 62552008

IUPAC2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide
SMILESCC1CCCC(CO)(NC(=O)C(Cl)c2ccccc2)C1
InChIInChI=1S/C16H22ClNO2/c1-12-6-5-9-16(10-12,11-19)18-15(20)14(17)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-11H2,1H3,(H,18,20)
InChIKeyHCGGXPBWKGVZHX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide

2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide (PubChem CID 62552008) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide
PubChem CID62552008
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide
SMILESCC1CCCC(CO)(NC(=O)C(Cl)c2ccccc2)C1
InChIInChI=1S/C16H22ClNO2/c1-12-6-5-9-16(10-12,11-19)18-15(20)14(17)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-11H2,1H3,(H,18,20)
InChIKeyHCGGXPBWKGVZHX-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 22327448
2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290613
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 62526681
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methylphenyl)acetamide
CID 62527537
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 62551515
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3,3-dimethylbutanamide
CID 62527893
2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 114328607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide (CID 62552008) is 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide is CC1CCCC(CO)(NC(=O)C(Cl)c2ccccc2)C1.
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide?
The InChIKey is HCGGXPBWKGVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-6-5-9-16(10-12,11-19)18-15(20)14(17)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-11H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide?
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide has a molecular weight of 295.81 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-phenylacetamide is sourced from PubChem (CID 62552008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).