N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide

C16H22ClNO — CID 112789122

IUPACN-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c17-15-8-6-13(7-9-15)10-11-18-16(19)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,18,19)
InChIKeyGWRSIJXMIIMCTL-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide (PubChem CID 112789122) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
PubChem CID112789122
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClNO/c17-15-8-6-13(7-9-15)10-11-18-16(19)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,18,19)
InChIKeyGWRSIJXMIIMCTL-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
N-[2-(4-chlorophenyl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9268417
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
2-cyclohexyl-N-[2-[[N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111614545
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide (CID 112789122) is N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide?
The InChIKey is GWRSIJXMIIMCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-8-6-13(7-9-15)10-11-18-16(19)12-14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide has a molecular weight of 279.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 112789122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).