4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide

C16H14ClNO2 — CID 172686182

IUPAC4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-13(10-14)11-4-6-12(7-5-11)15(19)8-9-16(18)20/h1-7,10H,8-9H2,(H2,18,20)
InChIKeyBBKHFXSFYKYCNN-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.46
Rot. Bonds5

About 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide

4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide (PubChem CID 172686182) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide
PubChem CID172686182
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClNO2/c17-14-3-1-2-13(10-14)11-4-6-12(7-5-11)15(19)8-9-16(18)20/h1-7,10H,8-9H2,(H2,18,20)
InChIKeyBBKHFXSFYKYCNN-UHFFFAOYSA-N
XLogP3.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)benzoate
CID 7021697
1-but-1-en-2-yl-4-(3-chlorophenyl)benzene
CID 167132260
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408497
[(2S)-5-amino-2-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]-5-oxopentanoyl] 4-(3-chlorophenyl)benzoate
CID 87359870
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
(3R)-3-[(4-amino-2,4-dioxobutanoyl)amino]-4-[4-(3-chlorophenyl)phenyl]butanoic acid
CID 91550310
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide (CID 172686182) is 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide is NC(=O)CCC(=O)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide?
The InChIKey is BBKHFXSFYKYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-3-1-2-13(10-14)11-4-6-12(7-5-11)15(19)8-9-16(18)20/h1-7,10H,8-9H2,(H2,18,20).
What are the key properties of 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide?
4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide has a molecular weight of 287.75 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 172686182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).