N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide

C20H17F3N2O3 — CID 35750831

IUPACN-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)28-17-4-2-1-3-16(17)25-18(26)12-7-13-5-8-14(9-6-13)19(27)24-15-10-11-15/h1-9,12,15H,10-11H2,(H,24,27)(H,25,26)/b12-7+
InChIKeyIZTASNAEEDDOQK-KPKJPENVSA-N
MW390.36 g/mol
LogP4.13
Rot. Bonds6

About N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide (PubChem CID 35750831) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide
PubChem CID35750831
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)28-17-4-2-1-3-16(17)25-18(26)12-7-13-5-8-14(9-6-13)19(27)24-15-10-11-15/h1-9,12,15H,10-11H2,(H,24,27)(H,25,26)/b12-7+
InChIKeyIZTASNAEEDDOQK-KPKJPENVSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 35205096
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
N-cyclopropyl-4-[(E)-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]benzamide
CID 46568895
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166
4-(cyclopropylsulfamoyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203522
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
1-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]thiourea
CID 113219617
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 55907831
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide (CID 35750831) is N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide?
The InChIKey is IZTASNAEEDDOQK-KPKJPENVSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)28-17-4-2-1-3-16(17)25-18(26)12-7-13-5-8-14(9-6-13)19(27)24-15-10-11-15/h1-9,12,15H,10-11H2,(H,24,27)(H,25,26)/b12-7+.
What are the key properties of N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide has a molecular weight of 390.36 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-oxo-3-[2-(trifluoromethoxy)anilino]prop-1-enyl]benzamide is sourced from PubChem (CID 35750831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).