(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C11H9F3N2O3 — CID 43008648

IUPAC(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC(F)(F)F
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)7-15-10(17)5-4-8-2-1-3-9(6-8)16(18)19/h1-6H,7H2,(H,15,17)/b5-4+
InChIKeyAFCCWZNMAMZXKT-SNAWJCMRSA-N
MW274.20 g/mol
LogP2.29
Rot. Bonds4

About (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 43008648) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID43008648
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC(F)(F)F
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)7-15-10(17)5-4-8-2-1-3-9(6-8)16(18)19/h1-6H,7H2,(H,15,17)/b5-4+
InChIKeyAFCCWZNMAMZXKT-SNAWJCMRSA-N
XLogP2.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-hydroxy-2,2-dimethylbutyl)-3-(3-nitrophenyl)prop-2-enamide
CID 103772913
methyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]acetate
CID 5060069
(E)-3-(3-nitrophenyl)-N-prop-2-ynylprop-2-enamide
CID 27896773
(E)-3-(3-nitrophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 26594345
(E)-N-(2-tert-butylsulfanylethyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2283739
(E)-N-(2-bromoprop-2-enyl)-3-(3-nitrophenyl)prop-2-enamide
CID 47439285
(Z)-N-[2-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 2287879
(E)-3-(3-nitrophenyl)-N-pent-3-ynylprop-2-enamide
CID 115979788
(Z)-N-dodecyl-3-(3-nitrophenyl)prop-2-enamide
CID 22301701
N-(3,3-diphenylpropyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3521340
(E)-3-(3-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2281810
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 43008648) is (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC(F)(F)F.
What is the InChIKey of (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is AFCCWZNMAMZXKT-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c12-11(13,14)7-15-10(17)5-4-8-2-1-3-9(6-8)16(18)19/h1-6H,7H2,(H,15,17)/b5-4+.
What are the key properties of (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
(E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 274.20 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 43008648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).