2-butyl-3-(4-fluorophenyl)hept-2-enamide

C17H24FNO — CID 175006510

IUPAC2-butyl-3-(4-fluorophenyl)hept-2-enamide
SMILESCCCCC(C(N)=O)=C(CCCC)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-3-5-7-15(13-9-11-14(18)12-10-13)16(17(19)20)8-6-4-2/h9-12H,3-8H2,1-2H3,(H2,19,20)
InChIKeyZNTBAWARFGMFJQ-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.45
Rot. Bonds8

About 2-butyl-3-(4-fluorophenyl)hept-2-enamide

2-butyl-3-(4-fluorophenyl)hept-2-enamide (PubChem CID 175006510) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-butyl-3-(4-fluorophenyl)hept-2-enamide.

Molecular Properties

Compound Name2-butyl-3-(4-fluorophenyl)hept-2-enamide
PubChem CID175006510
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-butyl-3-(4-fluorophenyl)hept-2-enamide
SMILESCCCCC(C(N)=O)=C(CCCC)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-3-5-7-15(13-9-11-14(18)12-10-13)16(17(19)20)8-6-4-2/h9-12H,3-8H2,1-2H3,(H2,19,20)
InChIKeyZNTBAWARFGMFJQ-UHFFFAOYSA-N
XLogP4.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.45
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

1-bromo-4-fluorobenzene;pentanoic acid
CID 175420474
1-(4-fluorophenyl)-3-pentylsulfanylpropan-1-one
CID 107752472
1-[(4-fluorophenyl)methoxy]hexan-2-one
CID 145231574
1-(4-fluorophenyl)-2-pentylsulfinylethanone
CID 107764510
(E)-4-(4-fluorophenyl)hex-4-en-3-one
CID 154714595
1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
CID 22991430
chloromethane;4-fluorobenzamide
CID 158476805
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
(4-fluorophenyl)-triethylgermylmethanone
CID 13109997
3-(butylamino)propyl 4-fluorobenzoate
CID 82532339
propyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 54941734
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(4-fluorophenyl)hept-2-enamide?
The IUPAC name of 2-butyl-3-(4-fluorophenyl)hept-2-enamide (CID 175006510) is 2-butyl-3-(4-fluorophenyl)hept-2-enamide.
What is the SMILES notation for 2-butyl-3-(4-fluorophenyl)hept-2-enamide?
The canonical SMILES for 2-butyl-3-(4-fluorophenyl)hept-2-enamide is CCCCC(C(N)=O)=C(CCCC)c1ccc(F)cc1.
What is the InChIKey of 2-butyl-3-(4-fluorophenyl)hept-2-enamide?
The InChIKey is ZNTBAWARFGMFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-5-7-15(13-9-11-14(18)12-10-13)16(17(19)20)8-6-4-2/h9-12H,3-8H2,1-2H3,(H2,19,20).
What are the key properties of 2-butyl-3-(4-fluorophenyl)hept-2-enamide?
2-butyl-3-(4-fluorophenyl)hept-2-enamide has a molecular weight of 277.38 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(4-fluorophenyl)hept-2-enamide is sourced from PubChem (CID 175006510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).