2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide

C17H24ClNO2 — CID 133239958

IUPAC2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H24ClNO2/c1-2-15(21-16-11-7-6-10-14(16)18)17(20)19-12-13-8-4-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,20)
InChIKeyWCJOTSVBBOVTLU-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.19
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide

2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide (PubChem CID 133239958) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
PubChem CID133239958
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H24ClNO2/c1-2-15(21-16-11-7-6-10-14(16)18)17(20)19-12-13-8-4-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,20)
InChIKeyWCJOTSVBBOVTLU-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 133240165
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291
cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776
cis-(1R,3S)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120677226
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide (CID 133239958) is 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide is CCC(Oc1ccccc1Cl)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide?
The InChIKey is WCJOTSVBBOVTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-2-15(21-16-11-7-6-10-14(16)18)17(20)19-12-13-8-4-3-5-9-13/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide?
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide has a molecular weight of 309.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide is sourced from PubChem (CID 133239958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).