N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide

C15H11F5N2O — CID 7409925

IUPACN-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F5N2O/c16-12-5-4-11(7-13(12)17)22-14(23)8-21-10-3-1-2-9(6-10)15(18,19)20/h1-7,21H,8H2,(H,22,23)
InChIKeyVCHNBBPNNRZBAD-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.03
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 7409925) has the molecular formula C15H11F5N2O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID7409925
Molecular FormulaC15H11F5N2O
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC NameN-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F5N2O/c16-12-5-4-11(7-13(12)17)22-14(23)8-21-10-3-1-2-9(6-10)15(18,19)20/h1-7,21H,8H2,(H,22,23)
InChIKeyVCHNBBPNNRZBAD-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 7409925) is N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is VCHNBBPNNRZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O/c16-12-5-4-11(7-13(12)17)22-14(23)8-21-10-3-1-2-9(6-10)15(18,19)20/h1-7,21H,8H2,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 330.26 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 7409925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).