N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide

C17H21F2NO — CID 155085567

IUPACN-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide
SMILESC/C=C(F)\C(NC(=O)Cc1ccccc1F)=C(\C)C(C)C
InChIInChI=1S/C17H21F2NO/c1-5-14(18)17(12(4)11(2)3)20-16(21)10-13-8-6-7-9-15(13)19/h5-9,11H,10H2,1-4H3,(H,20,21)/b14-5+,17-12+
InChIKeyIQXHHAJKONXJEO-XBHQGJDRSA-N
MW293.36 g/mol
LogP4.29
Rot. Bonds5

About N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide

N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide (PubChem CID 155085567) has the molecular formula C17H21F2NO and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide
PubChem CID155085567
Molecular FormulaC17H21F2NO
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide
SMILESC/C=C(F)\C(NC(=O)Cc1ccccc1F)=C(\C)C(C)C
InChIInChI=1S/C17H21F2NO/c1-5-14(18)17(12(4)11(2)3)20-16(21)10-13-8-6-7-9-15(13)19/h5-9,11H,10H2,1-4H3,(H,20,21)/b14-5+,17-12+
InChIKeyIQXHHAJKONXJEO-XBHQGJDRSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
1-(2-fluorophenyl)-6-methylheptane-2,4-dione
CID 58474750
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977
(E)-2-[[2-(2-fluorophenyl)acetyl]amino]hex-4-enoic acid
CID 120693171
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide (CID 155085567) is N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide is C/C=C(F)\C(NC(=O)Cc1ccccc1F)=C(\C)C(C)C.
What is the InChIKey of N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide?
The InChIKey is IQXHHAJKONXJEO-XBHQGJDRSA-N. The full InChI is InChI=1S/C17H21F2NO/c1-5-14(18)17(12(4)11(2)3)20-16(21)10-13-8-6-7-9-15(13)19/h5-9,11H,10H2,1-4H3,(H,20,21)/b14-5+,17-12+.
What are the key properties of N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide?
N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-3-fluoro-5,6-dimethylhepta-2,4-dien-4-yl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 155085567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).