N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide

C17H16ClF3N2O — CID 84867134

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16ClF3N2O/c1-11(12-5-3-2-4-6-12)22-10-16(24)23-13-7-8-15(18)14(9-13)17(19,20)21/h2-9,11,22H,10H2,1H3,(H,23,24)
InChIKeyRTOXWBYRDCFCSB-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.65
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide (PubChem CID 84867134) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
PubChem CID84867134
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
SMILESCC(NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16ClF3N2O/c1-11(12-5-3-2-4-6-12)22-10-16(24)23-13-7-8-15(18)14(9-13)17(19,20)21/h2-9,11,22H,10H2,1H3,(H,23,24)
InChIKeyRTOXWBYRDCFCSB-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide (CID 84867134) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide is CC(NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide?
The InChIKey is RTOXWBYRDCFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-11(12-5-3-2-4-6-12)22-10-16(24)23-13-7-8-15(18)14(9-13)17(19,20)21/h2-9,11,22H,10H2,1H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide has a molecular weight of 356.78 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 84867134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).