N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide

C11H13F2N3O2 — CID 103585757

IUPACN-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
SMILESCc1cc(F)c(NC(C)C(=O)NC(N)=O)cc1F
InChIInChI=1S/C11H13F2N3O2/c1-5-3-8(13)9(4-7(5)12)15-6(2)10(17)16-11(14)18/h3-4,6,15H,1-2H3,(H3,14,16,17,18)
InChIKeyUKWGHBNGWIUERB-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.27
Rot. Bonds3

About N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide

N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide (PubChem CID 103585757) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
PubChem CID103585757
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC NameN-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
SMILESCc1cc(F)c(NC(C)C(=O)NC(N)=O)cc1F
InChIInChI=1S/C11H13F2N3O2/c1-5-3-8(13)9(4-7(5)12)15-6(2)10(17)16-11(14)18/h3-4,6,15H,1-2H3,(H3,14,16,17,18)
InChIKeyUKWGHBNGWIUERB-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
CID 55118208
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
tert-butyl 2-(2,5-difluoro-4-methylanilino)propanoate
CID 103585492
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
3-(2,5-difluoro-4-methylanilino)butan-2-ol
CID 103585594
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
CID 83081905
(4-fluoro-2,5-dimethylphenyl)urea
CID 130686270
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
N-(1-ethylsulfonylpropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103584982
methyl 5-[1-(2,5-difluoro-4-methylanilino)ethyl]furan-2-carboxylate
CID 103586415

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide (CID 103585757) is N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide is Cc1cc(F)c(NC(C)C(=O)NC(N)=O)cc1F.
What is the InChIKey of N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide?
The InChIKey is UKWGHBNGWIUERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-5-3-8(13)9(4-7(5)12)15-6(2)10(17)16-11(14)18/h3-4,6,15H,1-2H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide?
N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide has a molecular weight of 257.24 g/mol, XLogP of 1.27, 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-difluoro-4-methylanilino)propanamide is sourced from PubChem (CID 103585757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).