(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide

C14H14F3NO — CID 110478091

IUPAC(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H14F3NO/c1-2-5-12(19)18-13(8-9-13)10-6-3-4-7-11(10)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,19)/b5-2+
InChIKeyMKUCBXNKFLMCLK-GORDUTHDSA-N
MW269.27 g/mol
LogP3.39
Rot. Bonds3

About (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide

(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide (PubChem CID 110478091) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide
PubChem CID110478091
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide
SMILESC/C=C/C(=O)NC1(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H14F3NO/c1-2-5-12(19)18-13(8-9-13)10-6-3-4-7-11(10)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,19)/b5-2+
InChIKeyMKUCBXNKFLMCLK-GORDUTHDSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.39
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

2-amino-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 110478898
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
tert-butyl formate;4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
CID 174526882
(E)-2-ethoxy-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]prop-2-enoic acid
CID 59680952
2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
CID 105485231
1-hydroxy-2,2,5-trimethyl-5-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 174233777
(Z)-N-phenylbut-2-enamide
CID 59909226
4-amino-4-[2-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 115048005
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873665
3-[2-(trifluoromethyl)phenyl]oxolan-3-ol
CID 63331457

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide?
The IUPAC name of (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide (CID 110478091) is (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide.
What is the SMILES notation for (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide?
The canonical SMILES for (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide is C/C=C/C(=O)NC1(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide?
The InChIKey is MKUCBXNKFLMCLK-GORDUTHDSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-5-12(19)18-13(8-9-13)10-6-3-4-7-11(10)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,19)/b5-2+.
What are the key properties of (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide?
(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide has a molecular weight of 269.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide is sourced from PubChem (CID 110478091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).