N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide

C10H10F3N3O2 — CID 55118208

IUPACN-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
SMILESCC(Nc1cc(F)c(F)cc1F)C(=O)NC(N)=O
InChIInChI=1S/C10H10F3N3O2/c1-4(9(17)16-10(14)18)15-8-3-6(12)5(11)2-7(8)13/h2-4,15H,1H3,(H3,14,16,17,18)
InChIKeyMPEOIMCYXFVJPD-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.10
Rot. Bonds3

About N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide

N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide (PubChem CID 55118208) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
PubChem CID55118208
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC NameN-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide
SMILESCC(Nc1cc(F)c(F)cc1F)C(=O)NC(N)=O
InChIInChI=1S/C10H10F3N3O2/c1-4(9(17)16-10(14)18)15-8-3-6(12)5(11)2-7(8)13/h2-4,15H,1H3,(H3,14,16,17,18)
InChIKeyMPEOIMCYXFVJPD-UHFFFAOYSA-N
XLogP1.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
CID 103585757
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
CID 83081905
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 62815213
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
CID 43089308
N-carbamoyl-2-(2-cyanoanilino)propanamide
CID 43086096

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide (CID 55118208) is N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide is CC(Nc1cc(F)c(F)cc1F)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide?
The InChIKey is MPEOIMCYXFVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-4(9(17)16-10(14)18)15-8-3-6(12)5(11)2-7(8)13/h2-4,15H,1H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide?
N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide has a molecular weight of 261.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4,5-trifluoroanilino)propanamide is sourced from PubChem (CID 55118208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).