N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C19H17F3N2O2 — CID 55642515

IUPACN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c1-23-18(26)12-14-6-2-3-8-16(14)24-17(25)10-9-13-5-4-7-15(11-13)19(20,21)22/h2-11H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyJUDRMUFAOVEXGO-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.65
Rot. Bonds5

About N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 55642515) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID55642515
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c1-23-18(26)12-14-6-2-3-8-16(14)24-17(25)10-9-13-5-4-7-15(11-13)19(20,21)22/h2-11H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyJUDRMUFAOVEXGO-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
(E)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 16552812
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enamide
CID 67340064
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(2R)-N-ethyl-2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]propanamide
CID 8750344
4-chloro-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54192223

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 55642515) is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is CNC(=O)Cc1ccccc1NC(=O)C=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JUDRMUFAOVEXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-23-18(26)12-14-6-2-3-8-16(14)24-17(25)10-9-13-5-4-7-15(11-13)19(20,21)22/h2-11H,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 362.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55642515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).