1-[2-benzoyl-5-(diethylamino)phenyl]ethanone

C19H21NO2 — CID 151104618

IUPAC1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2)c(C(C)=O)c1
InChIInChI=1S/C19H21NO2/c1-4-20(5-2)16-11-12-17(18(13-16)14(3)21)19(22)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeyMOVOPFRSKMOPEP-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.97
Rot. Bonds6

About 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone

1-[2-benzoyl-5-(diethylamino)phenyl]ethanone (PubChem CID 151104618) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
PubChem CID151104618
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2)c(C(C)=O)c1
InChIInChI=1S/C19H21NO2/c1-4-20(5-2)16-11-12-17(18(13-16)14(3)21)19(22)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3
InChIKeyMOVOPFRSKMOPEP-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
2-benzoyl-5-(dimethylamino)benzoic acid
CID 19812381
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
CID 163839608
1-[4-(diethylamino)-2-nitrophenyl]ethanone
CID 46769566
[5-(diethylamino)-2-methylphenyl] benzoate
CID 129225541
bis[2-chloro-4-(diethylamino)phenyl]methanone
CID 139673948

Frequently Asked Questions

What is the IUPAC name of 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone (CID 151104618) is 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone is CCN(CC)c1ccc(C(=O)c2ccccc2)c(C(C)=O)c1.
What is the InChIKey of 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone?
The InChIKey is MOVOPFRSKMOPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-20(5-2)16-11-12-17(18(13-16)14(3)21)19(22)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3.
What are the key properties of 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone?
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone has a molecular weight of 295.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzoyl-5-(diethylamino)phenyl]ethanone is sourced from PubChem (CID 151104618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).