2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide

C11H20ClNO2 — CID 154848803

IUPAC2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CN(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO2/c1-9(14)8-13(11(15)7-12)10-5-3-2-4-6-10/h9-10,14H,2-8H2,1H3
InChIKeyVCYVGULBMBADLA-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.77
Rot. Bonds4

About 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide

2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide (PubChem CID 154848803) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
PubChem CID154848803
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CN(C(=O)CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO2/c1-9(14)8-13(11(15)7-12)10-5-3-2-4-6-10/h9-10,14H,2-8H2,1H3
InChIKeyVCYVGULBMBADLA-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
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-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
1-cyclohexyl-1-(2-hydroxypropyl)-3-prop-2-ynylurea
CID 75457866
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-prop-2-ynylurea
CID 97308157
3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 82324129
N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
CID 114876819
2-chloro-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-ethylacetamide
CID 96553335
N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide
CID 111103348
N-cyclohexyl-4-methoxy-N-(2-methylpropyl)butanamide
CID 145047882
2-chloro-N-cyclooctyl-N-[(2-methyltetrazol-5-yl)methyl]acetamide
CID 154879431
1-cyclohexyl-1-(2-hydroxypropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 75457865
3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
CID 82323439
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide (CID 154848803) is 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide is CC(O)CN(C(=O)CCl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide?
The InChIKey is VCYVGULBMBADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-9(14)8-13(11(15)7-12)10-5-3-2-4-6-10/h9-10,14H,2-8H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide?
2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide has a molecular weight of 233.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 154848803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).