N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide

C17H16N2O — CID 724511

IUPACN-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C/c1ccccc1)=NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-14(12-13-15-8-4-2-5-9-15)18-19-17(20)16-10-6-3-7-11-16/h2-13H,1H3,(H,19,20)/b13-12+,18-14?
InChIKeyRUGTZWGRVCCMKI-LAQABBMKSA-N
MW264.33 g/mol
LogP3.51
Rot. Bonds4

About N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide

N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide (PubChem CID 724511) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
PubChem CID724511
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C/c1ccccc1)=NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-14(12-13-15-8-4-2-5-9-15)18-19-17(20)16-10-6-3-7-11-16/h2-13H,1H3,(H,19,20)/b13-12+,18-14?
InChIKeyRUGTZWGRVCCMKI-LAQABBMKSA-N
XLogP3.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620
4-decoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 51064208
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
4-(2-oxopyrrolidin-1-yl)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 792183
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The IUPAC name of N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide (CID 724511) is N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide.
What is the SMILES notation for N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The canonical SMILES for N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide is CC(/C=C/c1ccccc1)=NNC(=O)c1ccccc1.
What is the InChIKey of N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The InChIKey is RUGTZWGRVCCMKI-LAQABBMKSA-N. The full InChI is InChI=1S/C17H16N2O/c1-14(12-13-15-8-4-2-5-9-15)18-19-17(20)16-10-6-3-7-11-16/h2-13H,1H3,(H,19,20)/b13-12+,18-14?.
What are the key properties of N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide is sourced from PubChem (CID 724511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).