N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide

C13H15F3N2O — CID 162549411

IUPACN-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide
SMILESCCc1cccc(CNC(=O)C(F)(F)F)c1/C=C\N
InChIInChI=1S/C13H15F3N2O/c1-2-9-4-3-5-10(11(9)6-7-17)8-18-12(19)13(14,15)16/h3-7H,2,8,17H2,1H3,(H,18,19)/b7-6-
InChIKeyVMVRMOOCBPSVHW-SREVYHEPSA-N
MW272.27 g/mol
LogP2.36
Rot. Bonds4

About N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide

N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 162549411) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID162549411
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide
SMILESCCc1cccc(CNC(=O)C(F)(F)F)c1/C=C\N
InChIInChI=1S/C13H15F3N2O/c1-2-9-4-3-5-10(11(9)6-7-17)8-18-12(19)13(14,15)16/h3-7H,2,8,17H2,1H3,(H,18,19)/b7-6-
InChIKeyVMVRMOOCBPSVHW-SREVYHEPSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylsulfanylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 57448163
(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
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
2,6-dimethyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 90019133
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770
(E)-3-(2-chlorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108934307

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide (CID 162549411) is N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide is CCc1cccc(CNC(=O)C(F)(F)F)c1/C=C\N.
What is the InChIKey of N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is VMVRMOOCBPSVHW-SREVYHEPSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-2-9-4-3-5-10(11(9)6-7-17)8-18-12(19)13(14,15)16/h3-7H,2,8,17H2,1H3,(H,18,19)/b7-6-.
What are the key properties of N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 272.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(Z)-2-aminoethenyl]-3-ethylphenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162549411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).