(E)-2-benzoyl-N,3-diphenylprop-2-enamide

C22H17NO2 — CID 9448914

IUPAC(E)-2-benzoyl-N,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C/c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25)23-19-14-8-3-9-15-19/h1-16H,(H,23,25)/b20-16+
InChIKeyVTUAEIISLPSRJO-CAPFRKAQSA-N
MW327.38 g/mol
LogP4.59
Rot. Bonds5

About (E)-2-benzoyl-N,3-diphenylprop-2-enamide

(E)-2-benzoyl-N,3-diphenylprop-2-enamide (PubChem CID 9448914) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-2-benzoyl-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-benzoyl-N,3-diphenylprop-2-enamide
PubChem CID9448914
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(E)-2-benzoyl-N,3-diphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C/c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C22H17NO2/c24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25)23-19-14-8-3-9-15-19/h1-16H,(H,23,25)/b20-16+
InChIKeyVTUAEIISLPSRJO-CAPFRKAQSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide
CID 87529383
(E)-3-benzoyl-2-oxo-4-phenylbut-3-enoic acid
CID 9467692
3-phenyl-2-(pyridin-4-ylcarbamoyl)prop-2-enoic acid
CID 54180084
2-benzylidene-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
CID 5236437
(2Z)-2-benzylidene-4,4,4-trifluoro-1-phenylbutane-1,3-dione
CID 126359991
N-[4-[(E)-2-benzoyl-3-oxobut-1-enyl]phenyl]propanamide
CID 6374421
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285
(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 9448911
(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 9448944
2-benzylidene-N-(3-methylphenyl)-3-oxobutanamide
CID 78119677
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(Z)-N-(4-anilinophenyl)-2-chloro-3-phenylprop-2-enamide
CID 909593

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzoyl-N,3-diphenylprop-2-enamide?
The IUPAC name of (E)-2-benzoyl-N,3-diphenylprop-2-enamide (CID 9448914) is (E)-2-benzoyl-N,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-2-benzoyl-N,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-2-benzoyl-N,3-diphenylprop-2-enamide is O=C(Nc1ccccc1)/C(=C/c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzoyl-N,3-diphenylprop-2-enamide?
The InChIKey is VTUAEIISLPSRJO-CAPFRKAQSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25)23-19-14-8-3-9-15-19/h1-16H,(H,23,25)/b20-16+.
What are the key properties of (E)-2-benzoyl-N,3-diphenylprop-2-enamide?
(E)-2-benzoyl-N,3-diphenylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzoyl-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 9448914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).