(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide

C11H12FNO — CID 144683992

IUPAC(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-8(7-11(14)13-2)9-3-5-10(12)6-4-9/h3-7H,1-2H3,(H,13,14)/b8-7+
InChIKeyRNNVBSAIBSWLRC-BQYQJAHWSA-N
MW193.22 g/mol
LogP1.98
Rot. Bonds2

About (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide

(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide (PubChem CID 144683992) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
PubChem CID144683992
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
SMILESCNC(=O)/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-8(7-11(14)13-2)9-3-5-10(12)6-4-9/h3-7H,1-2H3,(H,13,14)/b8-7+
InChIKeyRNNVBSAIBSWLRC-BQYQJAHWSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.98
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

(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
CID 144683991
(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
CID 51095604
(Z)-3-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)phenyl]but-2-enamide
CID 111116144
(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide
CID 100850116
(Z)-3-(4-fluorophenyl)-N-[2-(4-nitroanilino)ethyl]but-2-enamide
CID 47082004
(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine
CID 142025151
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
CID 110912770
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(4-fluorophenyl)but-2-enamide
CID 71884165
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
ethyl (E)-3-[4-(4-fluorophenyl)phenyl]but-2-enoate
CID 22557664
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
(E)-3-fluoro-N-methylbut-2-enamide
CID 118189831

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide (CID 144683992) is (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide is CNC(=O)/C=C(\C)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide?
The InChIKey is RNNVBSAIBSWLRC-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8(7-11(14)13-2)9-3-5-10(12)6-4-9/h3-7H,1-2H3,(H,13,14)/b8-7+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide?
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide has a molecular weight of 193.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide is sourced from PubChem (CID 144683992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).