3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride

C14H19ClF3N3O2 — CID 119628226

IUPAC3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCC(C)(C)N)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H18F3N3O2.ClH/c1-8(21)20-11-5-9(4-10(6-11)14(15,16)17)12(22)19-7-13(2,3)18;/h4-6H,7,18H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyRIFKTZYFFUYMKT-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.55
Rot. Bonds4

About 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride

3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119628226) has the molecular formula C14H19ClF3N3O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119628226
Molecular FormulaC14H19ClF3N3O2
Molecular Weight353.77 g/mol
Exact Mass353.11
IUPAC Name3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NCC(C)(C)N)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H18F3N3O2.ClH/c1-8(21)20-11-5-9(4-10(6-11)14(15,16)17)12(22)19-7-13(2,3)18;/h4-6H,7,18H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyRIFKTZYFFUYMKT-UHFFFAOYSA-N
XLogP2.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[[4-(methylaminomethyl)phenyl]methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 91645432
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
CID 75398204
4-[[[3-acetamido-5-(trifluoromethyl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120543405
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
4-[[3-acetamido-5-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 120535032
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
3-acetamido-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 167765934
N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide
CID 59569810
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 119628226) is 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride is CC(=O)Nc1cc(C(=O)NCC(C)(C)N)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is RIFKTZYFFUYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.ClH/c1-8(21)20-11-5-9(4-10(6-11)14(15,16)17)12(22)19-7-13(2,3)18;/h4-6H,7,18H2,1-3H3,(H,19,22)(H,20,21);1H.
What are the key properties of 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride?
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 353.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119628226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).