2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H18ClF3N2O2 — CID 113162087

IUPAC2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)c1ccccc1
InChIInChI=1S/C19H18ClF3N2O2/c1-12(14-6-4-3-5-7-14)25(13(2)26)11-18(27)24-17-10-15(19(21,22)23)8-9-16(17)20/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyHONJWELZNURCQM-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.91
Rot. Bonds5

About 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 113162087) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID113162087
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)c1ccccc1
InChIInChI=1S/C19H18ClF3N2O2/c1-12(14-6-4-3-5-7-14)25(13(2)26)11-18(27)24-17-10-15(19(21,22)23)8-9-16(17)20/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyHONJWELZNURCQM-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113169161
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(1-phenylethyl)urea
CID 17087713
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 2108183
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 113162087) is 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HONJWELZNURCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-12(14-6-4-3-5-7-14)25(13(2)26)11-18(27)24-17-10-15(19(21,22)23)8-9-16(17)20/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113162087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).