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

C14H11BrF2N2O — CID 103843092

IUPAC2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
SMILESO=C(CNc1cc(F)c(Br)cc1F)Nc1ccccc1
InChIInChI=1S/C14H11BrF2N2O/c15-10-6-12(17)13(7-11(10)16)18-8-14(20)19-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20)
InChIKeyQPXGFVMUMFILKH-UHFFFAOYSA-N
MW341.16 g/mol
LogP3.78
Rot. Bonds4

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

2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide (PubChem CID 103843092) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
PubChem CID103843092
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
SMILESO=C(CNc1cc(F)c(Br)cc1F)Nc1ccccc1
InChIInChI=1S/C14H11BrF2N2O/c15-10-6-12(17)13(7-11(10)16)18-8-14(20)19-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20)
InChIKeyQPXGFVMUMFILKH-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 53.78
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-(3-methylphenyl)acetamide
CID 103843058
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
N-phenyl-2-(2,3,5-trifluoroanilino)acetamide
CID 62810251
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
CID 103585627
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
CID 62816420
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-(4-bromo-3,5-dimethylanilino)-N-phenylacetamide
CID 107573643
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide?
The IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide (CID 103843092) is 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide?
The canonical SMILES for 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide is O=C(CNc1cc(F)c(Br)cc1F)Nc1ccccc1.
What is the InChIKey of 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide?
The InChIKey is QPXGFVMUMFILKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c15-10-6-12(17)13(7-11(10)16)18-8-14(20)19-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide?
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide has a molecular weight of 341.16 g/mol, XLogP of 3.78, 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)-N-phenylacetamide is sourced from PubChem (CID 103843092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).