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

C21H16BrNO — CID 19170307

IUPAC(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1cccc(Br)c1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16BrNO/c22-18-12-7-13-19(15-18)23-21(24)20(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-15H,(H,23,24)/b20-14+
InChIKeyNOESBRVRQYXVDK-XSFVSMFZSA-N
MW378.27 g/mol
LogP5.63
Rot. Bonds4

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

(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide (PubChem CID 19170307) has the molecular formula C21H16BrNO and a molecular weight of 378.27 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
PubChem CID19170307
Molecular FormulaC21H16BrNO
Molecular Weight378.27 g/mol
Exact Mass377.04
IUPAC Name(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1cccc(Br)c1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16BrNO/c22-18-12-7-13-19(15-18)23-21(24)20(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-15H,(H,23,24)/b20-14+
InChIKeyNOESBRVRQYXVDK-XSFVSMFZSA-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

(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide
CID 171983498
2,4-bis(3-bromophenyl)-1,5-diphenylpenta-1,4-dien-3-one
CID 156774836
N-[(Z)-3-(3-bromoanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 20831595
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
CID 3426946
3-[[2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid
CID 2887876
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
3-[[(Z)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 2269702

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide (CID 19170307) is (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide is O=C(Nc1cccc(Br)c1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is NOESBRVRQYXVDK-XSFVSMFZSA-N. The full InChI is InChI=1S/C21H16BrNO/c22-18-12-7-13-19(15-18)23-21(24)20(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-15H,(H,23,24)/b20-14+.
What are the key properties of (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide?
(E)-N-(3-bromophenyl)-2,3-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 (E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19170307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).