4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

C14H19ClF3N3O2 — CID 119726182

IUPAC4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C14H18F3N3O2.ClH/c1-9(7-18-2)12(21)20-11-5-3-10(4-6-11)13(22)19-8-14(15,16)17;/h3-6,9,18H,7-8H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyVXAUAPUZMVQNPT-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.19
Rot. Bonds6

About 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride

4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (PubChem CID 119726182) has the molecular formula C14H19ClF3N3O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
PubChem CID119726182
Molecular FormulaC14H19ClF3N3O2
Molecular Weight353.77 g/mol
Exact Mass353.11
IUPAC Name4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1.Cl
InChIInChI=1S/C14H18F3N3O2.ClH/c1-9(7-18-2)12(21)20-11-5-3-10(4-6-11)13(22)19-8-14(15,16)17;/h3-6,9,18H,7-8H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyVXAUAPUZMVQNPT-UHFFFAOYSA-N
XLogP2.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
CID 119692969
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
4-(3-methylbut-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 30822215
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride (CID 119726182) is 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1.Cl.
What is the InChIKey of 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
The InChIKey is VXAUAPUZMVQNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.ClH/c1-9(7-18-2)12(21)20-11-5-3-10(4-6-11)13(22)19-8-14(15,16)17;/h3-6,9,18H,7-8H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride?
4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride has a molecular weight of 353.77 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride is sourced from PubChem (CID 119726182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).