N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide

C15H13BrF2N2O — CID 103585627

IUPACN-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
SMILESCc1cc(F)c(NCC(=O)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H13BrF2N2O/c1-9-5-13(18)14(7-12(9)17)19-8-15(21)20-11-4-2-3-10(16)6-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyGOPJBQLWMYVLSG-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.09
Rot. Bonds4

About N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide

N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide (PubChem CID 103585627) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
PubChem CID103585627
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide
SMILESCc1cc(F)c(NCC(=O)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C15H13BrF2N2O/c1-9-5-13(18)14(7-12(9)17)19-8-15(21)20-11-4-2-3-10(16)6-11/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyGOPJBQLWMYVLSG-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

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Related Compounds

2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(2-bromo-5-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81281124
2-(2-bromo-4-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81271166
N-(3-bromophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804330
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
2-(4-bromo-2-fluoroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 42125792
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide (CID 103585627) is N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide is Cc1cc(F)c(NCC(=O)Nc2cccc(Br)c2)cc1F.
What is the InChIKey of N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide?
The InChIKey is GOPJBQLWMYVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9-5-13(18)14(7-12(9)17)19-8-15(21)20-11-4-2-3-10(16)6-11/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide?
N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)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 N-(3-bromophenyl)-2-(2,5-difluoro-4-methylanilino)acetamide is sourced from PubChem (CID 103585627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).