4-(1-oxo-1-phenylpropan-2-yl)benzamide

C16H15NO2 — CID 102174990

IUPAC4-(1-oxo-1-phenylpropan-2-yl)benzamide
SMILESCC(C(=O)c1ccccc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15NO2/c1-11(15(18)13-5-3-2-4-6-13)12-7-9-14(10-8-12)16(17)19/h2-11H,1H3,(H2,17,19)
InChIKeyYLTOHMIDNJSNAK-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.77
Rot. Bonds4

About 4-(1-oxo-1-phenylpropan-2-yl)benzamide

4-(1-oxo-1-phenylpropan-2-yl)benzamide (PubChem CID 102174990) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(1-oxo-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(1-oxo-1-phenylpropan-2-yl)benzamide
PubChem CID102174990
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-(1-oxo-1-phenylpropan-2-yl)benzamide
SMILESCC(C(=O)c1ccccc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15NO2/c1-11(15(18)13-5-3-2-4-6-13)12-7-9-14(10-8-12)16(17)19/h2-11H,1H3,(H2,17,19)
InChIKeyYLTOHMIDNJSNAK-UHFFFAOYSA-N
XLogP2.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-iodophenyl)-1-phenylpropan-1-one
CID 135054881
benzamide;2,3-dimethylbutane
CID 162214835
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-one;hydrochloride
CID 172756921
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
4-(1-hydroxyethyl)benzamide
CID 22716490
benzamide;dimethyltin
CID 174591280
benzamide;ethene
CID 143479548
tert-butyl (2S)-2-(4-carbamoylphenyl)propanoate
CID 174465527
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-(1-oxo-1-phenylpropan-2-yl)benzamide (CID 102174990) is 4-(1-oxo-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(1-oxo-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-(1-oxo-1-phenylpropan-2-yl)benzamide is CC(C(=O)c1ccccc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-oxo-1-phenylpropan-2-yl)benzamide?
The InChIKey is YLTOHMIDNJSNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(15(18)13-5-3-2-4-6-13)12-7-9-14(10-8-12)16(17)19/h2-11H,1H3,(H2,17,19).
What are the key properties of 4-(1-oxo-1-phenylpropan-2-yl)benzamide?
4-(1-oxo-1-phenylpropan-2-yl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 102174990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).