4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide

C11H12F3N3O2 — CID 79796854

IUPAC4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
SMILESCC(N)(C(=O)Nc1ccc(C(N)=O)cc1)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-10(16,11(12,13)14)9(19)17-7-4-2-6(3-5-7)8(15)18/h2-5H,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyVCBOHBKHSKPDHA-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.00
Rot. Bonds3

About 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide

4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide (PubChem CID 79796854) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
PubChem CID79796854
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide
SMILESCC(N)(C(=O)Nc1ccc(C(N)=O)cc1)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-10(16,11(12,13)14)9(19)17-7-4-2-6(3-5-7)8(15)18/h2-5H,16H2,1H3,(H2,15,18)(H,17,19)
InChIKeyVCBOHBKHSKPDHA-UHFFFAOYSA-N
XLogP1.00
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
4-[(2-bromo-2-methylpropanoyl)amino]benzamide
CID 116816922
2-amino-3,3,3-trifluoro-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 79791847
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
2-amino-3,3,3-trifluoro-2-methyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 79793593
2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 79797421
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-methylbenzoic acid
CID 79812206
N-(4-acetamido-3-methylphenyl)-2-amino-3,3,3-trifluoro-2-methylpropanamide
CID 79790594
2-amino-3,3,3-trifluoro-2-methyl-N-(3,4,5-trifluorophenyl)propanamide
CID 79811217
2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796687
2-amino-3,3,3-trifluoro-N-(3-hydroxy-4-methoxyphenyl)-2-methylpropanamide
CID 79797113

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide?
The IUPAC name of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide (CID 79796854) is 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide.
What is the SMILES notation for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide?
The canonical SMILES for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide is CC(N)(C(=O)Nc1ccc(C(N)=O)cc1)C(F)(F)F.
What is the InChIKey of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide?
The InChIKey is VCBOHBKHSKPDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-10(16,11(12,13)14)9(19)17-7-4-2-6(3-5-7)8(15)18/h2-5H,16H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide?
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide has a molecular weight of 275.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzamide is sourced from PubChem (CID 79796854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).