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

C13H14FNO — CID 10220070

IUPAC(E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide
SMILESC/C(=C\C(=O)NC1CC1)c1cccc(F)c1
InChIInChI=1S/C13H14FNO/c1-9(7-13(16)15-12-5-6-12)10-3-2-4-11(14)8-10/h2-4,7-8,12H,5-6H2,1H3,(H,15,16)/b9-7+
InChIKeyKRFPEGCLPNWPPK-VQHVLOKHSA-N
MW219.26 g/mol
LogP2.51
Rot. Bonds3

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

(E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide (PubChem CID 10220070) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide
PubChem CID10220070
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide
SMILESC/C(=C\C(=O)NC1CC1)c1cccc(F)c1
InChIInChI=1S/C13H14FNO/c1-9(7-13(16)15-12-5-6-12)10-3-2-4-11(14)8-10/h2-4,7-8,12H,5-6H2,1H3,(H,15,16)/b9-7+
InChIKeyKRFPEGCLPNWPPK-VQHVLOKHSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide (CID 10220070) is (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide is C/C(=C\C(=O)NC1CC1)c1cccc(F)c1.
What is the InChIKey of (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide?
The InChIKey is KRFPEGCLPNWPPK-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9(7-13(16)15-12-5-6-12)10-3-2-4-11(14)8-10/h2-4,7-8,12H,5-6H2,1H3,(H,15,16)/b9-7+.
What are the key properties of (E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide?
(E)-N-cyclopropyl-3-(3-fluorophenyl)but-2-enamide has a molecular weight of 219.26 g/mol, XLogP of 2.51, 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)but-2-enamide is sourced from PubChem (CID 10220070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).