2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide

C11H14FN3O2 — CID 43083891

IUPAC2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C11H14FN3O2/c1-7(10(16)15-11(17)13-2)14-9-6-4-3-5-8(9)12/h3-7,14H,1-2H3,(H2,13,15,16,17)
InChIKeyQVEFEWADGHJAEL-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.08
Rot. Bonds3

About 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide

2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 43083891) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
PubChem CID43083891
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccccc1F
InChIInChI=1S/C11H14FN3O2/c1-7(10(16)15-11(17)13-2)14-9-6-4-3-5-8(9)12/h3-7,14H,1-2H3,(H2,13,15,16,17)
InChIKeyQVEFEWADGHJAEL-UHFFFAOYSA-N
XLogP1.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
2-[2-(2-fluorophenyl)ethylamino]-N-(methylcarbamoyl)propanamide
CID 43084409
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
(2R)-2-(2-fluoroanilino)-N-naphthalen-1-ylpropanamide
CID 7872612
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide (CID 43083891) is 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is QVEFEWADGHJAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7(10(16)15-11(17)13-2)14-9-6-4-3-5-8(9)12/h3-7,14H,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 239.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43083891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).