2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide

C11H13ClFN3O2 — CID 43385595

IUPAC2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFN3O2/c1-6(10(17)16-11(18)14-2)15-9-5-7(12)3-4-8(9)13/h3-6,15H,1-2H3,(H2,14,16,17,18)
InChIKeyHLUICZHZFSMPTF-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.74
Rot. Bonds3

About 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide

2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide (PubChem CID 43385595) has the molecular formula C11H13ClFN3O2 and a molecular weight of 273.70 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
PubChem CID43385595
Molecular FormulaC11H13ClFN3O2
Molecular Weight273.70 g/mol
Exact Mass273.07
IUPAC Name2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFN3O2/c1-6(10(17)16-11(18)14-2)15-9-5-7(12)3-4-8(9)13/h3-6,15H,1-2H3,(H2,14,16,17,18)
InChIKeyHLUICZHZFSMPTF-UHFFFAOYSA-N
XLogP1.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43083891
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 42891388
2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(2,5-dibromoanilino)-N-(methylcarbamoyl)propanamide
CID 54955172
2-(5-chloro-2-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43385605
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide (CID 43385595) is 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
The InChIKey is HLUICZHZFSMPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O2/c1-6(10(17)16-11(18)14-2)15-9-5-7(12)3-4-8(9)13/h3-6,15H,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide?
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide has a molecular weight of 273.70 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43385595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).