2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide

C13H17BrF2N2O — CID 103843112

IUPAC2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1cc(F)c(Br)cc1F
InChIInChI=1S/C13H17BrF2N2O/c1-3-8(4-2)18-13(19)7-17-12-6-10(15)9(14)5-11(12)16/h5-6,8,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHPYKWIGHBXCLQN-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide

2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide (PubChem CID 103843112) has the molecular formula C13H17BrF2N2O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
PubChem CID103843112
Molecular FormulaC13H17BrF2N2O
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1cc(F)c(Br)cc1F
InChIInChI=1S/C13H17BrF2N2O/c1-3-8(4-2)18-13(19)7-17-12-6-10(15)9(14)5-11(12)16/h5-6,8,17H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyHPYKWIGHBXCLQN-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.44
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-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 102847113
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
ethyl 2-[(4-bromo-2,5-difluoroanilino)methyl]prop-2-enoate
CID 107613453
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide (CID 103843112) is 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide?
The InChIKey is HPYKWIGHBXCLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O/c1-3-8(4-2)18-13(19)7-17-12-6-10(15)9(14)5-11(12)16/h5-6,8,17H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide?
2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide has a molecular weight of 335.19 g/mol, XLogP of 3.44, 6 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)-N-pentan-3-ylacetamide is sourced from PubChem (CID 103843112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).