N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide

C13H18FN3O2 — CID 62845784

IUPACN-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C13H18FN3O2/c1-8(18)16-11-7-9(5-6-10(11)14)17-12(19)13(2,3)15-4/h5-7,15H,1-4H3,(H,16,18)(H,17,19)
InChIKeyWJPNTIOSUWCYFB-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.72
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide

N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide (PubChem CID 62845784) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
PubChem CID62845784
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C13H18FN3O2/c1-8(18)16-11-7-9(5-6-10(11)14)17-12(19)13(2,3)15-4/h5-7,15H,1-4H3,(H,16,18)(H,17,19)
InChIKeyWJPNTIOSUWCYFB-UHFFFAOYSA-N
XLogP1.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835436
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950267
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
(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-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
2-methyl-2-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115165612
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide (CID 62845784) is N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is WJPNTIOSUWCYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(18)16-11-7-9(5-6-10(11)14)17-12(19)13(2,3)15-4/h5-7,15H,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide?
N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 267.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62845784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).