(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide

C22H18BrNO — CID 7930993

IUPAC(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18BrNO/c23-20-13-7-8-17(16-20)14-15-21(25)24-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,22H,(H,24,25)/b15-14+
InChIKeyRELXHXLGRMHTEV-CCEZHUSRSA-N
MW392.30 g/mol
LogP5.37
Rot. Bonds5

About (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide

(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide (PubChem CID 7930993) has the molecular formula C22H18BrNO and a molecular weight of 392.30 g/mol. Its IUPAC name is (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
PubChem CID7930993
Molecular FormulaC22H18BrNO
Molecular Weight392.30 g/mol
Exact Mass391.06
IUPAC Name(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18BrNO/c23-20-13-7-8-17(16-20)14-15-21(25)24-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,22H,(H,24,25)/b15-14+
InChIKeyRELXHXLGRMHTEV-CCEZHUSRSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide 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

3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]pentanoic acid
CID 43630920
5-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]hexanoic acid
CID 82854622
3-[3-(3-bromophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113748
2-[3-(3-bromophenyl)prop-2-enoylamino]benzoic acid
CID 54554141
(E)-N-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
(E)-N-benzhydryl-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 24843635
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide (CID 7930993) is (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide?
The InChIKey is RELXHXLGRMHTEV-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H18BrNO/c23-20-13-7-8-17(16-20)14-15-21(25)24-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16,22H,(H,24,25)/b15-14+.
What are the key properties of (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide?
(E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide has a molecular weight of 392.30 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzhydryl-3-(3-bromophenyl)prop-2-enamide is sourced from PubChem (CID 7930993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).