N-carbamoyl-2-(2,5-difluoroanilino)propanamide

C10H11F2N3O2 — CID 43083936

IUPACN-carbamoyl-2-(2,5-difluoroanilino)propanamide
SMILESCC(Nc1cc(F)ccc1F)C(=O)NC(N)=O
InChIInChI=1S/C10H11F2N3O2/c1-5(9(16)15-10(13)17)14-8-4-6(11)2-3-7(8)12/h2-5,14H,1H3,(H3,13,15,16,17)
InChIKeyJYEJHVIZWVVFBQ-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.96
Rot. Bonds3

About N-carbamoyl-2-(2,5-difluoroanilino)propanamide

N-carbamoyl-2-(2,5-difluoroanilino)propanamide (PubChem CID 43083936) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is N-carbamoyl-2-(2,5-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,5-difluoroanilino)propanamide
PubChem CID43083936
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC NameN-carbamoyl-2-(2,5-difluoroanilino)propanamide
SMILESCC(Nc1cc(F)ccc1F)C(=O)NC(N)=O
InChIInChI=1S/C10H11F2N3O2/c1-5(9(16)15-10(13)17)14-8-4-6(11)2-3-7(8)12/h2-5,14H,1H3,(H3,13,15,16,17)
InChIKeyJYEJHVIZWVVFBQ-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
CID 55118208
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
CID 103585757
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
2-(2,5-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43083934
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
CID 83081905
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,5-difluoroanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(2,5-difluoroanilino)propanamide (CID 43083936) is N-carbamoyl-2-(2,5-difluoroanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2,5-difluoroanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2,5-difluoroanilino)propanamide is CC(Nc1cc(F)ccc1F)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2,5-difluoroanilino)propanamide?
The InChIKey is JYEJHVIZWVVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c1-5(9(16)15-10(13)17)14-8-4-6(11)2-3-7(8)12/h2-5,14H,1H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(2,5-difluoroanilino)propanamide?
N-carbamoyl-2-(2,5-difluoroanilino)propanamide has a molecular weight of 243.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,5-difluoroanilino)propanamide is sourced from PubChem (CID 43083936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).