N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide

C17H14BrF2NO — CID 118368439

IUPACN-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide
SMILESC=CCC(C(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14BrF2NO/c1-2-3-14(11-4-9-15(19)16(20)10-11)17(22)21-13-7-5-12(18)6-8-13/h2,4-10,14H,1,3H2,(H,21,22)
InChIKeyCAZSUUPHFHEISP-UHFFFAOYSA-N
MW366.21 g/mol
LogP5.03
Rot. Bonds5

About N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide

N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide (PubChem CID 118368439) has the molecular formula C17H14BrF2NO and a molecular weight of 366.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide
PubChem CID118368439
Molecular FormulaC17H14BrF2NO
Molecular Weight366.21 g/mol
Exact Mass365.02
IUPAC NameN-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide
SMILESC=CCC(C(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14BrF2NO/c1-2-3-14(11-4-9-15(19)16(20)10-11)17(22)21-13-7-5-12(18)6-8-13/h2,4-10,14H,1,3H2,(H,21,22)
InChIKeyCAZSUUPHFHEISP-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.21
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-bromo-4-fluorophenyl)pent-4-enamide
CID 104778206
1-(4-bromophenyl)-1-(3,4-difluorophenyl)pentan-3-one
CID 58302963
2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123982115
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317
4-(4-bromoanilino)-2,3-dihydroxy-4-oxobutanoic acid
CID 598830
4-(3,4-difluorophenyl)-4-hydroxy-3-(prop-2-enylamino)butanoic acid
CID 82349465
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-2-propan-2-ylpent-4-enamide
CID 166419011
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide
CID 177043817
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
4-bromo-2-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631325
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide?
The IUPAC name of N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide (CID 118368439) is N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide is C=CCC(C(=O)Nc1ccc(Br)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide?
The InChIKey is CAZSUUPHFHEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO/c1-2-3-14(11-4-9-15(19)16(20)10-11)17(22)21-13-7-5-12(18)6-8-13/h2,4-10,14H,1,3H2,(H,21,22).
What are the key properties of N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide?
N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide has a molecular weight of 366.21 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide is sourced from PubChem (CID 118368439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).