N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide

C17H15BrN2O — CID 5407602

IUPACN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\C(Br)=C\c1ccccc1
InChIInChI=1S/C17H15BrN2O/c18-16(11-14-7-3-1-4-8-14)13-19-20-17(21)12-15-9-5-2-6-10-15/h1-11,13H,12H2,(H,20,21)/b16-11-,19-13-
InChIKeyKOXIJEZBPHBDEW-BDYPVMOJSA-N
MW343.22 g/mol
LogP3.77
Rot. Bonds5

About N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide

N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide (PubChem CID 5407602) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
PubChem CID5407602
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\C(Br)=C\c1ccccc1
InChIInChI=1S/C17H15BrN2O/c18-16(11-14-7-3-1-4-8-14)13-19-20-17(21)12-15-9-5-2-6-10-15/h1-11,13H,12H2,(H,20,21)/b16-11-,19-13-
InChIKeyKOXIJEZBPHBDEW-BDYPVMOJSA-N
XLogP3.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.77
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

N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylanilino)acetamide
CID 2850395
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxybenzamide
CID 5333947
1-N-[(2-bromo-3-phenylprop-2-enylidene)amino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 123764142
2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
CID 6861934
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 91897432
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 84858367
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide
CID 3315608
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4596288
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4-(diethylamino)benzamide
CID 6902093
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide (CID 5407602) is N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C\C(Br)=C\c1ccccc1.
What is the InChIKey of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide?
The InChIKey is KOXIJEZBPHBDEW-BDYPVMOJSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-16(11-14-7-3-1-4-8-14)13-19-20-17(21)12-15-9-5-2-6-10-15/h1-11,13H,12H2,(H,20,21)/b16-11-,19-13-.
What are the key properties of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide?
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide has a molecular weight of 343.22 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 5407602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).