3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C19H16ClF3N2O2 — CID 10135400

IUPAC3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C#N)(COc1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16ClF3N2O2/c1-18(11-24,12-27-16-5-3-2-4-15(16)20)17(26)25-10-13-6-8-14(9-7-13)19(21,22)23/h2-9H,10,12H2,1H3,(H,25,26)
InChIKeyMHYAJSXNHGAHSR-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.58
Rot. Bonds6

About 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 10135400) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID10135400
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C#N)(COc1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16ClF3N2O2/c1-18(11-24,12-27-16-5-3-2-4-15(16)20)17(26)25-10-13-6-8-14(9-7-13)19(21,22)23/h2-9H,10,12H2,1H3,(H,25,26)
InChIKeyMHYAJSXNHGAHSR-UHFFFAOYSA-N
XLogP4.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
1-[4-(2-chlorophenoxy)but-2-ynyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90574998
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
2-(2-chlorophenoxy)-3-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropanoic acid
CID 159661121
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43058982
2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55928847
N-[1-(2-chloro-4-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 11338760
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423192

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 10135400) is 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C#N)(COc1ccccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is MHYAJSXNHGAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c1-18(11-24,12-27-16-5-3-2-4-15(16)20)17(26)25-10-13-6-8-14(9-7-13)19(21,22)23/h2-9H,10,12H2,1H3,(H,25,26).
What are the key properties of 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 396.80 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-cyano-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 10135400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).