2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C16H14ClF3N2O — CID 108998161

IUPAC2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O/c17-13-6-4-11(5-7-13)9-21-10-15(23)22-14-3-1-2-12(8-14)16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyAUASSUWNXPFRLV-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.09
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 108998161) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID108998161
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNCc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3N2O/c17-13-6-4-11(5-7-13)9-21-10-15(23)22-14-3-1-2-12(8-14)16(18,19)20/h1-8,21H,9-10H2,(H,22,23)
InChIKeyAUASSUWNXPFRLV-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 108998161) is 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNCc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AUASSUWNXPFRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-13-6-4-11(5-7-13)9-21-10-15(23)22-14-3-1-2-12(8-14)16(18,19)20/h1-8,21H,9-10H2,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 342.75 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108998161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).