2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide

C21H24ClNO2 — CID 7653172

IUPAC2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)NCC1CCCCC1
InChIInChI=1S/C21H24ClNO2/c22-19-13-18(17-9-5-2-6-10-17)11-12-20(19)25-15-21(24)23-14-16-7-3-1-4-8-16/h2,5-6,9-13,16H,1,3-4,7-8,14-15H2,(H,23,24)
InChIKeyVSYJFYCPKAPGHX-UHFFFAOYSA-N
MW357.88 g/mol
LogP5.08
Rot. Bonds6

About 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide

2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide (PubChem CID 7653172) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
PubChem CID7653172
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Cl)NCC1CCCCC1
InChIInChI=1S/C21H24ClNO2/c22-19-13-18(17-9-5-2-6-10-17)11-12-20(19)25-15-21(24)23-14-16-7-3-1-4-8-16/h2,5-6,9-13,16H,1,3-4,7-8,14-15H2,(H,23,24)
InChIKeyVSYJFYCPKAPGHX-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534791
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 46454463
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
2-(2-chloro-4-phenylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119645425

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide (CID 7653172) is 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide is O=C(COc1ccc(-c2ccccc2)cc1Cl)NCC1CCCCC1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide?
The InChIKey is VSYJFYCPKAPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c22-19-13-18(17-9-5-2-6-10-17)11-12-20(19)25-15-21(24)23-14-16-7-3-1-4-8-16/h2,5-6,9-13,16H,1,3-4,7-8,14-15H2,(H,23,24).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide?
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide has a molecular weight of 357.88 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 7653172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).