2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide

C15H13BrF2N2O — CID 103843058

IUPAC2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(F)c(Br)cc2F)c1
InChIInChI=1S/C15H13BrF2N2O/c1-9-3-2-4-10(5-9)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyUVFVNWMVCHILET-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide

2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide (PubChem CID 103843058) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
PubChem CID103843058
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNc2cc(F)c(Br)cc2F)c1
InChIInChI=1S/C15H13BrF2N2O/c1-9-3-2-4-10(5-9)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyUVFVNWMVCHILET-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.09
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-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
CID 103585627
2-(2-bromo-4-methylanilino)-N-(3-fluorophenyl)acetamide
CID 42070161
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
CID 62816420
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
CID 107574072
N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109009001
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide (CID 103843058) is 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CNc2cc(F)c(Br)cc2F)c1.
What is the InChIKey of 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is UVFVNWMVCHILET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9-3-2-4-10(5-9)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide?
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 355.18 g/mol, XLogP of 4.09, 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 103843058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).