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

C18H28FNO — CID 144683991

IUPAC(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
SMILESCCCCCCC.CNC(=O)/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO.C7H16/c1-8(7-11(14)13-2)9-3-5-10(12)6-4-9;1-3-5-7-6-4-2/h3-7H,1-2H3,(H,13,14);3-7H2,1-2H3/b8-7+;
InChIKeyFAJBNSLNLCIMEZ-USRGLUTNSA-N
MW293.43 g/mol
LogP4.95
Rot. Bonds6

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

(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane (PubChem CID 144683991) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
PubChem CID144683991
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
SMILESCCCCCCC.CNC(=O)/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO.C7H16/c1-8(7-11(14)13-2)9-3-5-10(12)6-4-9;1-3-5-7-6-4-2/h3-7H,1-2H3,(H,13,14);3-7H2,1-2H3/b8-7+;
InChIKeyFAJBNSLNLCIMEZ-USRGLUTNSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Brn 2646116
CID 5281870
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Cinflumide
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CID 6039989
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
3-methyl-N-(2-phenylethyl)-2-butenamide
CID 731815
N-(3,3-Diphenylprop-2-en-1-yl)acetamide
CID 16094582
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide
CID 14015869
3-(4-Fluorophenyl)-2-propenamide
CID 923602

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane (CID 144683991) is (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane is CCCCCCC.CNC(=O)/C=C(\C)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane?
The InChIKey is FAJBNSLNLCIMEZ-USRGLUTNSA-N. The full InChI is InChI=1S/C11H12FNO.C7H16/c1-8(7-11(14)13-2)9-3-5-10(12)6-4-9;1-3-5-7-6-4-2/h3-7H,1-2H3,(H,13,14);3-7H2,1-2H3/b8-7+;.
What are the key properties of (E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane?
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane has a molecular weight of 293.43 g/mol, XLogP of 4.95, 6 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;heptane is sourced from PubChem (CID 144683991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).