2-(3-chlorophenyl)-N-cyclohexylacetamide

C14H18ClNO — CID 11379742

IUPAC2-(3-chlorophenyl)-N-cyclohexylacetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-12-6-4-5-11(9-12)10-14(17)16-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,16,17)
InChIKeyXFTBLPDJYOAEFP-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.33
Rot. Bonds3

About 2-(3-chlorophenyl)-N-cyclohexylacetamide

2-(3-chlorophenyl)-N-cyclohexylacetamide (PubChem CID 11379742) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclohexylacetamide
PubChem CID11379742
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(3-chlorophenyl)-N-cyclohexylacetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCCCC1
InChIInChI=1S/C14H18ClNO/c15-12-6-4-5-11(9-12)10-14(17)16-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,16,17)
InChIKeyXFTBLPDJYOAEFP-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclohexylacetamide (CID 11379742) is 2-(3-chlorophenyl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclohexylacetamide is O=C(Cc1cccc(Cl)c1)NC1CCCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclohexylacetamide?
The InChIKey is XFTBLPDJYOAEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-6-4-5-11(9-12)10-14(17)16-13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-cyclohexylacetamide?
2-(3-chlorophenyl)-N-cyclohexylacetamide has a molecular weight of 251.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclohexylacetamide is sourced from PubChem (CID 11379742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).