2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide

C12H16FN3O2 — CID 110601209

IUPAC2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)N(C)C)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-8(14-12(18)16(2)3)11(17)15-10-7-5-4-6-9(10)13/h4-8H,1-3H3,(H,14,18)(H,15,17)
InChIKeyMMXJCDMJIJZAOI-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.42
Rot. Bonds3

About 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide

2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide (PubChem CID 110601209) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
PubChem CID110601209
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)N(C)C)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-8(14-12(18)16(2)3)11(17)15-10-7-5-4-6-9(10)13/h4-8H,1-3H3,(H,14,18)(H,15,17)
InChIKeyMMXJCDMJIJZAOI-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
N-(2-fluorophenyl)-2-(methylsulfamoylamino)propanamide
CID 110606507
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 110606499
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide
CID 110615579

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide (CID 110601209) is 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide is CC(NC(=O)N(C)C)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
The InChIKey is MMXJCDMJIJZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-8(14-12(18)16(2)3)11(17)15-10-7-5-4-6-9(10)13/h4-8H,1-3H3,(H,14,18)(H,15,17).
What are the key properties of 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide?
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide has a molecular weight of 253.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110601209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).