2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide

C20H24ClNO2 — CID 17328424

IUPAC2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C20H24ClNO2/c1-4-17(15-12-10-14(3)11-13-15)22-20(23)18(5-2)24-19-9-7-6-8-16(19)21/h6-13,17-18H,4-5H2,1-3H3,(H,22,23)
InChIKeyAFAODPRJPJPLRX-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.07
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide

2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide (PubChem CID 17328424) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
PubChem CID17328424
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C20H24ClNO2/c1-4-17(15-12-10-14(3)11-13-15)22-20(23)18(5-2)24-19-9-7-6-8-16(19)21/h6-13,17-18H,4-5H2,1-3H3,(H,22,23)
InChIKeyAFAODPRJPJPLRX-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132302

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide (CID 17328424) is 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide is CCC(Oc1ccccc1Cl)C(=O)NC(CC)c1ccc(C)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide?
The InChIKey is AFAODPRJPJPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-4-17(15-12-10-14(3)11-13-15)22-20(23)18(5-2)24-19-9-7-6-8-16(19)21/h6-13,17-18H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide?
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide has a molecular weight of 345.87 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide is sourced from PubChem (CID 17328424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).