N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C13H15F3N2O2 — CID 63374842

IUPACN-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8(2)7-17-11(19)9-5-3-4-6-10(9)18-12(20)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVWITUJHMIUMSEA-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.57
Rot. Bonds4

About N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 63374842) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID63374842
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8(2)7-17-11(19)9-5-3-4-6-10(9)18-12(20)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyVWITUJHMIUMSEA-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 63374842) is N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is VWITUJHMIUMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(2)7-17-11(19)9-5-3-4-6-10(9)18-12(20)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 288.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 63374842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).