3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C11H10F3N3O3 — CID 151481142

IUPAC3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCC(=O)Nc1cccc(C(N)=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C11H10F3N3O3/c1-5(18)16-7-4-2-3-6(9(15)19)8(7)17-10(20)11(12,13)14/h2-4H,1H3,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyPMMMRSOSCPTLRZ-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.24
Rot. Bonds3

About 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide

3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 151481142) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound Name3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID151481142
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCC(=O)Nc1cccc(C(N)=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C11H10F3N3O3/c1-5(18)16-7-4-2-3-6(9(15)19)8(7)17-10(20)11(12,13)14/h2-4H,1H3,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyPMMMRSOSCPTLRZ-UHFFFAOYSA-N
XLogP1.24
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-2-hydroxybenzamide
CID 66833068
3-acetamido-2-(nonanoylamino)benzamide
CID 175824940
2,3-dimethyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 175043157
3-acetamido-2-nitrobenzamide
CID 142159478
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
N-[2,3-bis(propan-2-ylsulfanyl)phenyl]-2,2,2-trifluoroacetamide
CID 102447741
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91719281
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 151481142) is 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CC(=O)Nc1cccc(C(N)=O)c1NC(=O)C(F)(F)F.
What is the InChIKey of 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is PMMMRSOSCPTLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c1-5(18)16-7-4-2-3-6(9(15)19)8(7)17-10(20)11(12,13)14/h2-4H,1H3,(H2,15,19)(H,16,18)(H,17,20).
What are the key properties of 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 289.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 151481142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).