2-chloro-N-cyclohexyl-N-phenylacetamide

C14H18ClNO — CID 2794916

IUPAC2-chloro-N-cyclohexyl-N-phenylacetamide
SMILESO=C(CCl)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyWDAVIQBJLVXQGA-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-N-cyclohexyl-N-phenylacetamide

2-chloro-N-cyclohexyl-N-phenylacetamide (PubChem CID 2794916) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-phenylacetamide
PubChem CID2794916
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-chloro-N-cyclohexyl-N-phenylacetamide
SMILESO=C(CCl)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyWDAVIQBJLVXQGA-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-phenylacetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-phenylacetamide (CID 2794916) is 2-chloro-N-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-phenylacetamide is O=C(CCl)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-phenylacetamide?
The InChIKey is WDAVIQBJLVXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 2-chloro-N-cyclohexyl-N-phenylacetamide?
2-chloro-N-cyclohexyl-N-phenylacetamide has a molecular weight of 251.76 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 2794916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).