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

C15H19F3N2O — CID 63108556

IUPACN-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H19F3N2O/c1-10(2)19-13-6-4-3-5-12(13)14(21)20(11-7-8-11)9-15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyDMDDSGOJUVLVMY-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.67
Rot. Bonds5

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

N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 63108556) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID63108556
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)Nc1ccccc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H19F3N2O/c1-10(2)19-13-6-4-3-5-12(13)14(21)20(11-7-8-11)9-15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3
InChIKeyDMDDSGOJUVLVMY-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 55177472
N-cyclopropyl-2-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 104547771
N-(cyclopropylmethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 55177665
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103857135
N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)benzamide
CID 107400011
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62235512
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 63108556) is N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)Nc1ccccc1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DMDDSGOJUVLVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(2)19-13-6-4-3-5-12(13)14(21)20(11-7-8-11)9-15(16,17)18/h3-6,10-11,19H,7-9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide?
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 63108556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).