N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

C16H14ClF3N2O — CID 86861058

IUPACN-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESO=C(CNC(c1ccccc1)C(F)(F)F)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF3N2O/c17-12-7-4-8-13(9-12)22-14(23)10-21-15(16(18,19)20)11-5-2-1-3-6-11/h1-9,15,21H,10H2,(H,22,23)
InChIKeySNNREPKMLSKINL-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.17
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (PubChem CID 86861058) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
PubChem CID86861058
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC NameN-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESO=C(CNC(c1ccccc1)C(F)(F)F)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF3N2O/c17-12-7-4-8-13(9-12)22-14(23)10-21-15(16(18,19)20)11-5-2-1-3-6-11/h1-9,15,21H,10H2,(H,22,23)
InChIKeySNNREPKMLSKINL-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(phenylcarbamoylamino)phenyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861024
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2-[1-(3-chlorophenyl)propylamino]-N-phenylacetamide
CID 112841756
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
2-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
CID 46571844
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861031
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (CID 86861058) is N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is O=C(CNC(c1ccccc1)C(F)(F)F)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The InChIKey is SNNREPKMLSKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-12-7-4-8-13(9-12)22-14(23)10-21-15(16(18,19)20)11-5-2-1-3-6-11/h1-9,15,21H,10H2,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide has a molecular weight of 342.75 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 N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is sourced from PubChem (CID 86861058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).