N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide

C21H24ClNO2 — CID 138554091

IUPACN-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
SMILESO=C(CC1CCC(OCc2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c22-18-8-10-19(11-9-18)23-21(24)14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-5,8-11,16,20H,6-7,12-15H2,(H,23,24)
InChIKeyZLGRJKDYWJVCRV-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.44
Rot. Bonds6

About N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide

N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide (PubChem CID 138554091) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
PubChem CID138554091
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC NameN-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide
SMILESO=C(CC1CCC(OCc2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c22-18-8-10-19(11-9-18)23-21(24)14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-5,8-11,16,20H,6-7,12-15H2,(H,23,24)
InChIKeyZLGRJKDYWJVCRV-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-phenylacetamide
CID 60753326
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
2-(4-acetylcyclohexyl)-N-(4-chlorophenyl)acetamide
CID 121319520
N-(4-chlorophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110858953
N-benzyl-1-(4-phenylmethoxycyclohexyl)methanamine;hydrochloride
CID 171784857
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311
N-(4-chlorophenyl)-2-(4,4-difluorocyclohexyl)acetamide
CID 121319752
3-[4-[2-(4-chloroanilino)-2-oxoethyl]cyclohexyl]benzoic acid
CID 121319777
N-(4-chlorophenyl)-2-[4-(4-ethoxyphenyl)cyclohexyl]acetamide
CID 121325219
N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide (CID 138554091) is N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide is O=C(CC1CCC(OCc2ccccc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide?
The InChIKey is ZLGRJKDYWJVCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-18-8-10-19(11-9-18)23-21(24)14-16-6-12-20(13-7-16)25-15-17-4-2-1-3-5-17/h1-5,8-11,16,20H,6-7,12-15H2,(H,23,24).
What are the key properties of N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide?
N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide has a molecular weight of 357.88 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-phenylmethoxycyclohexyl)acetamide is sourced from PubChem (CID 138554091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).