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

C15H19BrF2N2O — CID 102853387

IUPAC2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
SMILESCC(Nc1cc(Br)c(F)cc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19BrF2N2O/c1-9(15(21)20-10-5-3-2-4-6-10)19-14-7-11(16)12(17)8-13(14)18/h7-10,19H,2-6H2,1H3,(H,20,21)
InChIKeyYJURITHMRXDHMQ-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.98
Rot. Bonds4

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

2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide (PubChem CID 102853387) has the molecular formula C15H19BrF2N2O and a molecular weight of 361.23 g/mol. Its IUPAC name is 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
PubChem CID102853387
Molecular FormulaC15H19BrF2N2O
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
SMILESCC(Nc1cc(Br)c(F)cc1F)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19BrF2N2O/c1-9(15(21)20-10-5-3-2-4-6-10)19-14-7-11(16)12(17)8-13(14)18/h7-10,19H,2-6H2,1H3,(H,20,21)
InChIKeyYJURITHMRXDHMQ-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.98
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

2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
N-cyclopentyl-2-(2,3-difluoroanilino)propanamide
CID 61074672
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
N-cyclopropyl-2-(2-fluoro-4-methylanilino)propanamide
CID 43088822
2-(5-bromo-2,4-difluoroanilino)-N-pentylpropanamide
CID 102853314
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
N-cyclohexyl-2-(2,6-dichloro-4-fluoroanilino)propanamide
CID 83077775

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide?
The IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide (CID 102853387) is 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide is CC(Nc1cc(Br)c(F)cc1F)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide?
The InChIKey is YJURITHMRXDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF2N2O/c1-9(15(21)20-10-5-3-2-4-6-10)19-14-7-11(16)12(17)8-13(14)18/h7-10,19H,2-6H2,1H3,(H,20,21).
What are the key properties of 2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide?
2-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide has a molecular weight of 361.23 g/mol, XLogP of 3.98, 4 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-cyclohexylpropanamide is sourced from PubChem (CID 102853387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).