4-chloro-N-(3-phenoxyphenyl)butanamide

C16H16ClNO2 — CID 63308949

IUPAC4-chloro-N-(3-phenoxyphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16ClNO2/c17-11-5-10-16(19)18-13-6-4-9-15(12-13)20-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,18,19)
InChIKeyHIVNRSVGVSUHEE-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.44
Rot. Bonds6

About 4-chloro-N-(3-phenoxyphenyl)butanamide

4-chloro-N-(3-phenoxyphenyl)butanamide (PubChem CID 63308949) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-N-(3-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-phenoxyphenyl)butanamide
PubChem CID63308949
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-N-(3-phenoxyphenyl)butanamide
SMILESO=C(CCCCl)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H16ClNO2/c17-11-5-10-16(19)18-13-6-4-9-15(12-13)20-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,18,19)
InChIKeyHIVNRSVGVSUHEE-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
3-oxo-N-(3-phenoxyphenyl)dodecanamide
CID 71475050
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
CID 63680730
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
CID 17474007
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide
CID 162507399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-phenoxyphenyl)butanamide?
The IUPAC name of 4-chloro-N-(3-phenoxyphenyl)butanamide (CID 63308949) is 4-chloro-N-(3-phenoxyphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-phenoxyphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-phenoxyphenyl)butanamide is O=C(CCCCl)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(3-phenoxyphenyl)butanamide?
The InChIKey is HIVNRSVGVSUHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-11-5-10-16(19)18-13-6-4-9-15(12-13)20-14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,18,19).
What are the key properties of 4-chloro-N-(3-phenoxyphenyl)butanamide?
4-chloro-N-(3-phenoxyphenyl)butanamide has a molecular weight of 289.76 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-phenoxyphenyl)butanamide is sourced from PubChem (CID 63308949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).