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

C17H15BrN2O — CID 6948702

IUPAC4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-13(7-8-14-5-3-2-4-6-14)19-20-17(21)15-9-11-16(18)12-10-15/h2-12H,1H3,(H,20,21)/b8-7+,19-13+
InChIKeyLVYAUTPNHGSDSM-LDTXJDIMSA-N
MW343.22 g/mol
LogP4.27
Rot. Bonds4

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

4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide (PubChem CID 6948702) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
PubChem CID6948702
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c1-13(7-8-14-5-3-2-4-6-14)19-20-17(21)15-9-11-16(18)12-10-15/h2-12H,1H3,(H,20,21)/b8-7+,19-13+
InChIKeyLVYAUTPNHGSDSM-LDTXJDIMSA-N
XLogP4.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.27
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'}

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Related Compounds

4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
4-decoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 51064208
1-[(4-bromophenyl)methyl]-N-(4-phenylbut-3-en-2-ylideneamino)pyrazole-3-carboxamide
CID 1271999
4-(2-oxopyrrolidin-1-yl)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 792183
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide (CID 6948702) is 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide is CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
The InChIKey is LVYAUTPNHGSDSM-LDTXJDIMSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-13(7-8-14-5-3-2-4-6-14)19-20-17(21)15-9-11-16(18)12-10-15/h2-12H,1H3,(H,20,21)/b8-7+,19-13+.
What are the key properties of 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide?
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide has a molecular weight of 343.22 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide is sourced from PubChem (CID 6948702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).