2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide

C12H16FN3O2 — CID 43084052

IUPAC2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(F)cc1C
InChIInChI=1S/C12H16FN3O2/c1-7-6-9(13)4-5-10(7)15-8(2)11(17)16-12(18)14-3/h4-6,8,15H,1-3H3,(H2,14,16,17,18)
InChIKeyBBULBKLJDOSQSS-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide

2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 43084052) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
PubChem CID43084052
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1ccc(F)cc1C
InChIInChI=1S/C12H16FN3O2/c1-7-6-9(13)4-5-10(7)15-8(2)11(17)16-12(18)14-3/h4-6,8,15H,1-3H3,(H2,14,16,17,18)
InChIKeyBBULBKLJDOSQSS-UHFFFAOYSA-N
XLogP1.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
(2R)-2-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]anilino]-N-(methylcarbamoyl)propanamide
CID 95323022
2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide
CID 54955172
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
3-(4-fluoro-2-methylanilino)butanoic acid
CID 43536774
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide (CID 43084052) is 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1ccc(F)cc1C.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is BBULBKLJDOSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-7-6-9(13)4-5-10(7)15-8(2)11(17)16-12(18)14-3/h4-6,8,15H,1-3H3,(H2,14,16,17,18).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide?
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 253.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43084052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).