(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide

C21H16BrNO — CID 171983498

IUPAC(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C\c1ccccc1Br)c1ccccc1
InChIInChI=1S/C21H16BrNO/c22-20-14-8-7-11-17(20)15-19(16-9-3-1-4-10-16)21(24)23-18-12-5-2-6-13-18/h1-15H,(H,23,24)/b19-15-
InChIKeyJTJKCQPYTFMNFA-CYVLTUHYSA-N
MW378.27 g/mol
LogP5.63
Rot. Bonds4

About (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide

(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide (PubChem CID 171983498) has the molecular formula C21H16BrNO and a molecular weight of 378.27 g/mol. Its IUPAC name is (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide
PubChem CID171983498
Molecular FormulaC21H16BrNO
Molecular Weight378.27 g/mol
Exact Mass377.04
IUPAC Name(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide
SMILESO=C(Nc1ccccc1)/C(=C\c1ccccc1Br)c1ccccc1
InChIInChI=1S/C21H16BrNO/c22-20-14-8-7-11-17(20)15-19(16-9-3-1-4-10-16)21(24)23-18-12-5-2-6-13-18/h1-15H,(H,23,24)/b19-15-
InChIKeyJTJKCQPYTFMNFA-CYVLTUHYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.63
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-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523507
(E)-N-(4-acetamidophenyl)-3-(2-bromophenyl)-2-cyanoprop-2-enamide
CID 6220064
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide
CID 126797593
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
3-(2-bromophenyl)-2-chloroprop-2-enoic acid
CID 175924975
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide?
The IUPAC name of (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide (CID 171983498) is (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide?
The canonical SMILES for (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide is O=C(Nc1ccccc1)/C(=C\c1ccccc1Br)c1ccccc1.
What is the InChIKey of (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide?
The InChIKey is JTJKCQPYTFMNFA-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H16BrNO/c22-20-14-8-7-11-17(20)15-19(16-9-3-1-4-10-16)21(24)23-18-12-5-2-6-13-18/h1-15H,(H,23,24)/b19-15-.
What are the key properties of (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide?
(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide has a molecular weight of 378.27 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide is sourced from PubChem (CID 171983498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).