N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide

C16H13F3N2O2 — CID 46915048

IUPACN-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)15(23)20-10-11-6-8-12(9-7-11)14(22)21-13-4-2-1-3-5-13/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyAVBYSYYBJLUPKF-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.12
Rot. Bonds4

About N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide

N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide (PubChem CID 46915048) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
PubChem CID46915048
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)15(23)20-10-11-6-8-12(9-7-11)14(22)21-13-4-2-1-3-5-13/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyAVBYSYYBJLUPKF-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
CID 108933635
3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108933641
tert-butyl N-[2-[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoyl]amino]phenyl]carbamate;ethane
CID 176715043
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The IUPAC name of N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide (CID 46915048) is N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide.
What is the SMILES notation for N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The canonical SMILES for N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide is O=C(Nc1ccccc1)c1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
The InChIKey is AVBYSYYBJLUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)15(23)20-10-11-6-8-12(9-7-11)14(22)21-13-4-2-1-3-5-13/h1-9H,10H2,(H,20,23)(H,21,22).
What are the key properties of N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide?
N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide has a molecular weight of 322.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide is sourced from PubChem (CID 46915048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).