2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide

C14H19BrF2N2O — CID 102853314

IUPAC2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H19BrF2N2O/c1-3-4-5-6-18-14(20)9(2)19-13-7-10(15)11(16)8-12(13)17/h7-9,19H,3-6H2,1-2H3,(H,18,20)
InChIKeyZXCSWEOLILHMQU-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.83
Rot. Bonds7

About 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide

2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide (PubChem CID 102853314) has the molecular formula C14H19BrF2N2O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
PubChem CID102853314
Molecular FormulaC14H19BrF2N2O
Molecular Weight349.22 g/mol
Exact Mass348.06
IUPAC Name2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C14H19BrF2N2O/c1-3-4-5-6-18-14(20)9(2)19-13-7-10(15)11(16)8-12(13)17/h7-9,19H,3-6H2,1-2H3,(H,18,20)
InChIKeyZXCSWEOLILHMQU-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroanilino)-N-pentylpropanamide
CID 43113406
N-butyl-2-(4-chloro-2-fluoroanilino)propanamide
CID 60721606
2-(2-bromo-4-methylanilino)-N-butylpropanamide
CID 43113797
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
2-(4-bromo-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 43116655
2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
CID 82867453
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide?
The IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide (CID 102853314) is 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide.
What is the SMILES notation for 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide?
The canonical SMILES for 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide?
The InChIKey is ZXCSWEOLILHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O/c1-3-4-5-6-18-14(20)9(2)19-13-7-10(15)11(16)8-12(13)17/h7-9,19H,3-6H2,1-2H3,(H,18,20).
What are the key properties of 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide?
2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide has a molecular weight of 349.22 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide is sourced from PubChem (CID 102853314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).