(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide

C13H13F3N2O — CID 106213345

IUPAC(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)12(7-8-12)18-11(19)6-3-9-1-4-10(17)5-2-9/h1-6H,7-8,17H2,(H,18,19)/b6-3+
InChIKeyFJIBXCRILNXYEL-ZZXKWVIFSA-N
MW270.25 g/mol
LogP2.49
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide (PubChem CID 106213345) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
PubChem CID106213345
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)12(7-8-12)18-11(19)6-3-9-1-4-10(17)5-2-9/h1-6H,7-8,17H2,(H,18,19)/b6-3+
InChIKeyFJIBXCRILNXYEL-ZZXKWVIFSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 115343519
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
CID 114107791
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636
(E)-3-(4-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 115344367
(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide
CID 103461593
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856
3-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-2,2,3-trimethylbutanoic acid
CID 115344389
(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
CID 115343841
2-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430395
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide (CID 106213345) is (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide is Nc1ccc(/C=C/C(=O)NC2(C(F)(F)F)CC2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide?
The InChIKey is FJIBXCRILNXYEL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)12(7-8-12)18-11(19)6-3-9-1-4-10(17)5-2-9/h1-6H,7-8,17H2,(H,18,19)/b6-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide has a molecular weight of 270.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide is sourced from PubChem (CID 106213345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).