2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide

C20H24ClNO2 — CID 46763081

IUPAC2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-3-19(24-18-11-7-10-17(21)14-18)20(23)22-15(2)12-13-16-8-5-4-6-9-16/h4-11,14-15,19H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyRPQABHXHYOSZPX-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.63
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide

2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide (PubChem CID 46763081) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
PubChem CID46763081
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-3-19(24-18-11-7-10-17(21)14-18)20(23)22-15(2)12-13-16-8-5-4-6-9-16/h4-11,14-15,19H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyRPQABHXHYOSZPX-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 132652022
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide (CID 46763081) is 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide?
The InChIKey is RPQABHXHYOSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-3-19(24-18-11-7-10-17(21)14-18)20(23)22-15(2)12-13-16-8-5-4-6-9-16/h4-11,14-15,19H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide?
2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide has a molecular weight of 345.87 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 46763081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).