N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide

C13H17F3N2O — CID 55177472

IUPACN-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-9(2)17-11-7-5-4-6-10(11)12(19)18(3)8-13(14,15)16/h4-7,9,17H,8H2,1-3H3
InChIKeyFQORXAFJSRWBKV-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide

N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55177472) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55177472
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-9(2)17-11-7-5-4-6-10(11)12(19)18(3)8-13(14,15)16/h4-7,9,17H,8H2,1-3H3
InChIKeyFQORXAFJSRWBKV-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
N-(2-methoxyethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 63108038
N-(cyclopropylmethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 55177665
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108513
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide
CID 63107590
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)benzamide
CID 107400011
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 55177472) is N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)Nc1ccccc1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FQORXAFJSRWBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(2)17-11-7-5-4-6-10(11)12(19)18(3)8-13(14,15)16/h4-7,9,17H,8H2,1-3H3.
What are the key properties of N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 274.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55177472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).