(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide

C15H10BrClFNO — CID 81271763

IUPAC(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H10BrClFNO/c16-13-7-4-11(17)9-14(13)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-9H,(H,19,20)/b8-3+
InChIKeyCFZWWUBAHYZIMH-FPYGCLRLSA-N
MW354.61 g/mol
LogP4.89
Rot. Bonds3

About (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 81271763) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID81271763
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H10BrClFNO/c16-13-7-4-11(17)9-14(13)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-9H,(H,19,20)/b8-3+
InChIKeyCFZWWUBAHYZIMH-FPYGCLRLSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.89
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

N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
2-[3-(4-bromophenyl)prop-2-enoylamino]-4-chlorobenzoic acid
CID 54565649
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 53268248
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
3-(4-tert-butylphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 3425508

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 81271763) is (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1Br.
What is the InChIKey of (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is CFZWWUBAHYZIMH-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-13-7-4-11(17)9-14(13)19-15(20)8-3-10-1-5-12(18)6-2-10/h1-9H,(H,19,20)/b8-3+.
What are the key properties of (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 354.61 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 81271763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).