(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide

C12H12FNO — CID 6434871

IUPAC(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H12FNO/c13-10-3-1-2-9(8-10)4-7-12(15)14-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)/b7-4+
InChIKeyNCOOUEIQXVWKTO-QPJJXVBHSA-N
MW205.23 g/mol
LogP2.12
Rot. Bonds3

About (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide

(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 6434871) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide
PubChem CID6434871
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H12FNO/c13-10-3-1-2-9(8-10)4-7-12(15)14-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)/b7-4+
InChIKeyNCOOUEIQXVWKTO-QPJJXVBHSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.12
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

Brn 2646116
CID 5281870
n-Methylcinnamamide
CID 6039989
Cinnamamide, 4-fluoro-N-(2-hydroxyethyl)-
CID 6434365
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
N-cyclopropyl-3-(4-isobutylphenyl)acrylamide
CID 1224012
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
Cinnamamide, 3-fluoro-N-(2-hydroxyethyl)-
CID 6434366
Cinnamamide, N-cyclopropyl-m-(trifluoromethyl)-, (E)-
CID 6434872
4-phenyl-2,5-dihydro-1H-pyrrol-2-one
CID 19391019
N-(2-Cyclohex-1-enyl-ethyl)-3-phenyl-acrylamide
CID 785863
N-(1-methyl-3-phenylpropyl)-3-phenylacrylamide
CID 5730620

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide (CID 6434871) is (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is NCOOUEIQXVWKTO-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-3-1-2-9(8-10)4-7-12(15)14-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)/b7-4+.
What are the key properties of (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 205.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 6434871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).