2-(4-bromo-2,5-difluoroanilino)butanamide

C10H11BrF2N2O — CID 107611163

IUPAC2-(4-bromo-2,5-difluoroanilino)butanamide
SMILESCCC(Nc1cc(F)c(Br)cc1F)C(N)=O
InChIInChI=1S/C10H11BrF2N2O/c1-2-8(10(14)16)15-9-4-6(12)5(11)3-7(9)13/h3-4,8,15H,2H2,1H3,(H2,14,16)
InChIKeyUPNWRBQKCNRGQE-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-bromo-2,5-difluoroanilino)butanamide

2-(4-bromo-2,5-difluoroanilino)butanamide (PubChem CID 107611163) has the molecular formula C10H11BrF2N2O and a molecular weight of 293.11 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluoroanilino)butanamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluoroanilino)butanamide
PubChem CID107611163
Molecular FormulaC10H11BrF2N2O
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name2-(4-bromo-2,5-difluoroanilino)butanamide
SMILESCCC(Nc1cc(F)c(Br)cc1F)C(N)=O
InChIInChI=1S/C10H11BrF2N2O/c1-2-8(10(14)16)15-9-4-6(12)5(11)3-7(9)13/h3-4,8,15H,2H2,1H3,(H2,14,16)
InChIKeyUPNWRBQKCNRGQE-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,5-difluoro-N-heptan-4-ylaniline
CID 107609941
2-(2-fluoroanilino)butanamide
CID 60995502
2-(2,4-dibromo-5-methoxyanilino)butanamide
CID 103413422
2-(2,3-difluoroanilino)butanamide
CID 62900030
2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
CID 103843112
2-(2,4,5-trichloroanilino)butanamide
CID 62901359
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
(2R)-2-(5-bromo-4-cyano-2-fluoroanilino)-4-methylpentanamide
CID 67508329
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
ethyl 2-(4-bromo-3-fluoroanilino)butanoate
CID 65437331
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
ethyl 3-(5-bromo-4-fluoro-2-methylanilino)-2-methylpropanoate
CID 107591791

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluoroanilino)butanamide?
The IUPAC name of 2-(4-bromo-2,5-difluoroanilino)butanamide (CID 107611163) is 2-(4-bromo-2,5-difluoroanilino)butanamide.
What is the SMILES notation for 2-(4-bromo-2,5-difluoroanilino)butanamide?
The canonical SMILES for 2-(4-bromo-2,5-difluoroanilino)butanamide is CCC(Nc1cc(F)c(Br)cc1F)C(N)=O.
What is the InChIKey of 2-(4-bromo-2,5-difluoroanilino)butanamide?
The InChIKey is UPNWRBQKCNRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O/c1-2-8(10(14)16)15-9-4-6(12)5(11)3-7(9)13/h3-4,8,15H,2H2,1H3,(H2,14,16).
What are the key properties of 2-(4-bromo-2,5-difluoroanilino)butanamide?
2-(4-bromo-2,5-difluoroanilino)butanamide has a molecular weight of 293.11 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-difluoroanilino)butanamide is sourced from PubChem (CID 107611163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).