[2-(N-ethenylanilino)phenyl]-phenylmethanone

C21H17NO — CID 69118531

IUPAC[2-(N-ethenylanilino)phenyl]-phenylmethanone
SMILESC=CN(c1ccccc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO/c1-2-22(18-13-7-4-8-14-18)20-16-10-9-15-19(20)21(23)17-11-5-3-6-12-17/h2-16H,1H2
InChIKeyXBDREPOMZPQRQY-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.20
Rot. Bonds5

About [2-(N-ethenylanilino)phenyl]-phenylmethanone

[2-(N-ethenylanilino)phenyl]-phenylmethanone (PubChem CID 69118531) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(N-ethenylanilino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(N-ethenylanilino)phenyl]-phenylmethanone
PubChem CID69118531
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name[2-(N-ethenylanilino)phenyl]-phenylmethanone
SMILESC=CN(c1ccccc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO/c1-2-22(18-13-7-4-8-14-18)20-16-10-9-15-19(20)21(23)17-11-5-3-6-12-17/h2-16H,1H2
InChIKeyXBDREPOMZPQRQY-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
(2S)-2-(2-benzoyl-N-ethenylanilino)-3-(4-hydroxyphenyl)propanoic acid
CID 67543516
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989
N-(2-benzoylphenyl)-N-methylmethanesulfonamide
CID 11130003
phenyl-(2-silylphenyl)methanone
CID 137327642
[2-[N-(2-benzoylphenyl)-4-(4-phenoxy-N-(4-phenoxyphenyl)anilino)anilino]phenyl]-phenylmethanone
CID 122431547
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
chloroethene;diphenylmethanone
CID 159955636
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
2-(2-benzoylphenyl)prop-2-enoic acid
CID 69164907

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethenylanilino)phenyl]-phenylmethanone?
The IUPAC name of [2-(N-ethenylanilino)phenyl]-phenylmethanone (CID 69118531) is [2-(N-ethenylanilino)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(N-ethenylanilino)phenyl]-phenylmethanone?
The canonical SMILES for [2-(N-ethenylanilino)phenyl]-phenylmethanone is C=CN(c1ccccc1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(N-ethenylanilino)phenyl]-phenylmethanone?
The InChIKey is XBDREPOMZPQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-2-22(18-13-7-4-8-14-18)20-16-10-9-15-19(20)21(23)17-11-5-3-6-12-17/h2-16H,1H2.
What are the key properties of [2-(N-ethenylanilino)phenyl]-phenylmethanone?
[2-(N-ethenylanilino)phenyl]-phenylmethanone has a molecular weight of 299.37 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethenylanilino)phenyl]-phenylmethanone is sourced from PubChem (CID 69118531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).