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

C11H13BrF2N2O — CID 103843113

IUPAC2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H13BrF2N2O/c1-2-3-15-11(17)6-16-10-5-8(13)7(12)4-9(10)14/h4-5,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyLUSSEIZXIVOLGP-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.67
Rot. Bonds5

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

2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide (PubChem CID 103843113) has the molecular formula C11H13BrF2N2O and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
PubChem CID103843113
Molecular FormulaC11H13BrF2N2O
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC Name2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(F)c(Br)cc1F
InChIInChI=1S/C11H13BrF2N2O/c1-2-3-15-11(17)6-16-10-5-8(13)7(12)4-9(10)14/h4-5,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyLUSSEIZXIVOLGP-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.67
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-2,5-difluoroanilino)-N-pentan-3-ylacetamide
CID 103843112
N-butyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815370
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
2-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
4-bromo-2,5-difluoro-N-propylbenzamide
CID 146035179
ethyl 2-[(4-bromo-2,5-difluoroanilino)methyl]prop-2-enoate
CID 107613453
2-(4-bromo-5-fluoro-2-nitroanilino)-N-ethylacetamide
CID 66112618
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 102847113

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide?
The IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide (CID 103843113) is 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide.
What is the SMILES notation for 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide?
The canonical SMILES for 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide is CCCNC(=O)CNc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide?
The InChIKey is LUSSEIZXIVOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O/c1-2-3-15-11(17)6-16-10-5-8(13)7(12)4-9(10)14/h4-5,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide?
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide has a molecular weight of 307.14 g/mol, XLogP of 2.67, 5 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-propylacetamide is sourced from PubChem (CID 103843113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).