(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide

C13H14FNO — CID 110478087

IUPAC(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C13H14FNO/c1-2-4-12(16)15-13(7-8-13)10-5-3-6-11(14)9-10/h2-6,9H,7-8H2,1H3,(H,15,16)/b4-2+
InChIKeyMMHBYXBOUKWJIY-DUXPYHPUSA-N
MW219.26 g/mol
LogP2.51
Rot. Bonds3

About (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide

(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide (PubChem CID 110478087) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
PubChem CID110478087
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C13H14FNO/c1-2-4-12(16)15-13(7-8-13)10-5-3-6-11(14)9-10/h2-6,9H,7-8H2,1H3,(H,15,16)/b4-2+
InChIKeyMMHBYXBOUKWJIY-DUXPYHPUSA-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

(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478088
N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 91550957
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide
CID 166418894
ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 75407979
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469918

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide?
The IUPAC name of (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide (CID 110478087) is (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide.
What is the SMILES notation for (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide?
The canonical SMILES for (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide is C/C=C/C(=O)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide?
The InChIKey is MMHBYXBOUKWJIY-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H14FNO/c1-2-4-12(16)15-13(7-8-13)10-5-3-6-11(14)9-10/h2-6,9H,7-8H2,1H3,(H,15,16)/b4-2+.
What are the key properties of (E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide?
(E)-N-[1-(3-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-(3-fluorophenyl)cyclopropyl]but-2-enamide is sourced from PubChem (CID 110478087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).