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

C16H10F6N2O2 — CID 108933525

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)10-7-5-9(6-8-10)13(25)23-11-3-1-2-4-12(11)24-14(26)16(20,21)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyCCPNYBKNQWBCQS-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.46
Rot. Bonds3

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

N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 108933525) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID108933525
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6N2O2/c17-15(18,19)10-7-5-9(6-8-10)13(25)23-11-3-1-2-4-12(11)24-14(26)16(20,21)22/h1-8H,(H,23,25)(H,24,26)
InChIKeyCCPNYBKNQWBCQS-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
4-oxo-4-[2-[[4-(trifluoromethyl)benzoyl]amino]anilino]butanoate
CID 2192276
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
N-[3-benzamido-6-methyl-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 87595404
2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide
CID 141410051
2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 150007971
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402
N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 177411899

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide (CID 108933525) is N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccccc1NC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CCPNYBKNQWBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c17-15(18,19)10-7-5-9(6-8-10)13(25)23-11-3-1-2-4-12(11)24-14(26)16(20,21)22/h1-8H,(H,23,25)(H,24,26).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 376.26 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108933525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).