(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide

C13H14FNO — CID 110478088

IUPAC(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO/c1-2-3-12(16)15-13(8-9-13)10-4-6-11(14)7-5-10/h2-7H,8-9H2,1H3,(H,15,16)/b3-2+
InChIKeyBWVKNSGTJBLJNL-NSCUHMNNSA-N
MW219.26 g/mol
LogP2.51
Rot. Bonds3

About (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide

(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide (PubChem CID 110478088) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
PubChem CID110478088
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO/c1-2-3-12(16)15-13(8-9-13)10-4-6-11(14)7-5-10/h2-7H,8-9H2,1H3,(H,15,16)/b3-2+
InChIKeyBWVKNSGTJBLJNL-NSCUHMNNSA-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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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 91550957
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
CID 110477965
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
CID 51126174
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
N-[1-(4-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide?
The IUPAC name of (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide (CID 110478088) is (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide?
The canonical SMILES for (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide is C/C=C/C(=O)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide?
The InChIKey is BWVKNSGTJBLJNL-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H14FNO/c1-2-3-12(16)15-13(8-9-13)10-4-6-11(14)7-5-10/h2-7H,8-9H2,1H3,(H,15,16)/b3-2+.
What are the key properties of (E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide?
(E)-N-[1-(4-fluorophenyl)cyclopropyl]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-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide is sourced from PubChem (CID 110478088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).