(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide

C15H10BrCl2NO — CID 6158871

IUPAC(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10BrCl2NO/c16-11-3-1-2-10(6-11)4-5-15(20)19-14-8-12(17)7-13(18)9-14/h1-9H,(H,19,20)/b5-4+
InChIKeyJCYPLOQMBNNZBT-SNAWJCMRSA-N
MW371.06 g/mol
LogP5.41
Rot. Bonds3

About (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide (PubChem CID 6158871) has the molecular formula C15H10BrCl2NO and a molecular weight of 371.06 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
PubChem CID6158871
Molecular FormulaC15H10BrCl2NO
Molecular Weight371.06 g/mol
Exact Mass368.93
IUPAC Name(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H10BrCl2NO/c16-11-3-1-2-10(6-11)4-5-15(20)19-14-8-12(17)7-13(18)9-14/h1-9H,(H,19,20)/b5-4+
InChIKeyJCYPLOQMBNNZBT-SNAWJCMRSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.06
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43430724
(E)-3-(3-bromophenyl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 2671445
4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 24635591
(E)-3-(3-bromophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 16551375
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
methyl 2-[3-(3-bromophenyl)prop-2-enoylamino]-5-chlorobenzoate
CID 66680219
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
3-[[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 24555546
2-[3-(3-bromophenyl)prop-2-enoylamino]benzoic acid
CID 54554141
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide (CID 6158871) is (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide?
The InChIKey is JCYPLOQMBNNZBT-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H10BrCl2NO/c16-11-3-1-2-10(6-11)4-5-15(20)19-14-8-12(17)7-13(18)9-14/h1-9H,(H,19,20)/b5-4+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide has a molecular weight of 371.06 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 6158871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).