N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide

C14H18F4N2O — CID 119657221

IUPACN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F4N2O/c1-13(2,7-19)8-20(3)12(21)9-4-10(14(16,17)18)6-11(15)5-9/h4-6H,7-8,19H2,1-3H3
InChIKeyLYZALFCQEPCIKX-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.90
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide (PubChem CID 119657221) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
PubChem CID119657221
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18F4N2O/c1-13(2,7-19)8-20(3)12(21)9-4-10(14(16,17)18)6-11(15)5-9/h4-6H,7-8,19H2,1-3H3
InChIKeyLYZALFCQEPCIKX-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide
CID 119654050
3-[[3-fluoro-5-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119362318
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
CID 119656442
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
2-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 170896141
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 119654096
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119656567
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
CID 119653583

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide (CID 119657221) is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide is CN(CC(C)(C)CN)C(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is LYZALFCQEPCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-13(2,7-19)8-20(3)12(21)9-4-10(14(16,17)18)6-11(15)5-9/h4-6H,7-8,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide?
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 306.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 119657221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).