(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide

C18H14ClF3N2O2 — CID 108934307

IUPAC(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C18H14ClF3N2O2/c19-14-7-3-1-5-12(14)9-10-16(25)24-15-8-4-2-6-13(15)11-23-17(26)18(20,21)22/h1-10H,11H2,(H,23,26)(H,24,25)/b10-9+
InChIKeyBKXZHOUOSLPSPE-MDZDMXLPSA-N
MW382.77 g/mol
LogP4.17
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 108934307) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID108934307
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C18H14ClF3N2O2/c19-14-7-3-1-5-12(14)9-10-16(25)24-15-8-4-2-6-13(15)11-23-17(26)18(20,21)22/h1-10H,11H2,(H,23,26)(H,24,25)/b10-9+
InChIKeyBKXZHOUOSLPSPE-MDZDMXLPSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.17
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

(E)-4-methyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934341
(E)-4,4-dimethyl-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pent-2-enamide
CID 108934343
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3394107
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(Z)-4-(2-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one
CID 23274147
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905371
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
2-chloro-6-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934234
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide (CID 108934307) is (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccccc1CNC(=O)C(F)(F)F.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is BKXZHOUOSLPSPE-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c19-14-7-3-1-5-12(14)9-10-16(25)24-15-8-4-2-6-13(15)11-23-17(26)18(20,21)22/h1-10H,11H2,(H,23,26)(H,24,25)/b10-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 382.77 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 108934307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).