N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide

C10H9F3N2O2 — CID 895724

IUPACN-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O2/c1-6(16)14-7-3-2-4-8(5-7)15-9(17)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyRBVBKCBWGNLOKJ-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.15
Rot. Bonds2

About N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide

N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide (PubChem CID 895724) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
PubChem CID895724
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC NameN-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
SMILESCC(=O)Nc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O2/c1-6(16)14-7-3-2-4-8(5-7)15-9(17)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyRBVBKCBWGNLOKJ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
2,5-dichloro-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933296
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide (CID 895724) is N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide is CC(=O)Nc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is RBVBKCBWGNLOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-6(16)14-7-3-2-4-8(5-7)15-9(17)10(11,12)13/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide?
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 246.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 895724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).