N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

C13H19ClFN3O2 — CID 119705048

IUPACN-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cc(NC(C)=O)ccc1F.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-8(7-15-3)13(19)17-12-6-10(16-9(2)18)4-5-11(12)14;/h4-6,8,15H,7H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyHGGGYIJKEXXAKM-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.00
Rot. Bonds5

About N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride

N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119705048) has the molecular formula C13H19ClFN3O2 and a molecular weight of 303.77 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119705048
Molecular FormulaC13H19ClFN3O2
Molecular Weight303.77 g/mol
Exact Mass303.11
IUPAC NameN-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cc(NC(C)=O)ccc1F.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-8(7-15-3)13(19)17-12-6-10(16-9(2)18)4-5-11(12)14;/h4-6,8,15H,7H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyHGGGYIJKEXXAKM-UHFFFAOYSA-N
XLogP2.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
methyl 4-fluoro-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate;hydrochloride
CID 119702256
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119705048) is N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)Nc1cc(NC(C)=O)ccc1F.Cl.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is HGGGYIJKEXXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.ClH/c1-8(7-15-3)13(19)17-12-6-10(16-9(2)18)4-5-11(12)14;/h4-6,8,15H,7H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 303.77 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119705048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).