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

C12H15F2N3O2 — CID 43083937

IUPAC2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(F)ccc1F
InChIInChI=1S/C12H15F2N3O2/c1-3-15-12(19)17-11(18)7(2)16-10-6-8(13)4-5-9(10)14/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyQPRXQWLVTOMOHD-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.61
Rot. Bonds4

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

2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 43083937) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID43083937
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cc(F)ccc1F
InChIInChI=1S/C12H15F2N3O2/c1-3-15-12(19)17-11(18)7(2)16-10-6-8(13)4-5-9(10)14/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19)
InChIKeyQPRXQWLVTOMOHD-UHFFFAOYSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
2-(2-ethoxy-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 47062079
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
2-(5-chloro-2-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 43083882
2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 83079489
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide (CID 43083937) is 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is QPRXQWLVTOMOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-3-15-12(19)17-11(18)7(2)16-10-6-8(13)4-5-9(10)14/h4-7,16H,3H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide?
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 271.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43083937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).