2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide

C15H13BrF2N2O — CID 81431305

IUPAC2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H13BrF2N2O/c1-8-4-10(17)7-11(5-8)20-14(15(19)21)9-2-3-12(16)13(18)6-9/h2-7,14,20H,1H3,(H2,19,21)
InChIKeyLQKXAESSIDGNKB-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide

2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide (PubChem CID 81431305) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
PubChem CID81431305
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H13BrF2N2O/c1-8-4-10(17)7-11(5-8)20-14(15(19)21)9-2-3-12(16)13(18)6-9/h2-7,14,20H,1H3,(H2,19,21)
InChIKeyLQKXAESSIDGNKB-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 97055135
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79041273
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 66480971
2-(3-fluoro-5-methylanilino)-2-(3-fluoro-4-methylphenyl)acetic acid
CID 79044455
2-(3-fluoro-5-methylanilino)-2-pyridin-3-ylacetamide
CID 79055306
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107686167
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324
2-(4-bromophenyl)-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049348

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide (CID 81431305) is 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide is Cc1cc(F)cc(NC(C(N)=O)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The InChIKey is LQKXAESSIDGNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-8-4-10(17)7-11(5-8)20-14(15(19)21)9-2-3-12(16)13(18)6-9/h2-7,14,20H,1H3,(H2,19,21).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide has a molecular weight of 355.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide is sourced from PubChem (CID 81431305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).