(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide

C22H18BrNO — CID 175523507

IUPAC(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(/C(=C\c2ccccc2)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C22H18BrNO/c1-16-11-13-18(14-12-16)19(15-17-7-3-2-4-8-17)22(25)24-21-10-6-5-9-20(21)23/h2-15H,1H3,(H,24,25)/b19-15+
InChIKeyKJTMLUZYDKSQMN-XDJHFCHBSA-N
MW392.30 g/mol
LogP5.94
Rot. Bonds4

About (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide

(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 175523507) has the molecular formula C22H18BrNO and a molecular weight of 392.30 g/mol. Its IUPAC name is (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
PubChem CID175523507
Molecular FormulaC22H18BrNO
Molecular Weight392.30 g/mol
Exact Mass391.06
IUPAC Name(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
SMILESCc1ccc(/C(=C\c2ccccc2)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C22H18BrNO/c1-16-11-13-18(14-12-16)19(15-17-7-3-2-4-8-17)22(25)24-21-10-6-5-9-20(21)23/h2-15H,1H3,(H,24,25)/b19-15+
InChIKeyKJTMLUZYDKSQMN-XDJHFCHBSA-N
XLogP5.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6273720
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
CID 2190509
(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 108767321
N-[(2-bromophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 3263463

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide (CID 175523507) is (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide is Cc1ccc(/C(=C\c2ccccc2)C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is KJTMLUZYDKSQMN-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H18BrNO/c1-16-11-13-18(14-12-16)19(15-17-7-3-2-4-8-17)22(25)24-21-10-6-5-9-20(21)23/h2-15H,1H3,(H,24,25)/b19-15+.
What are the key properties of (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide?
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide has a molecular weight of 392.30 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 175523507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).