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

C15H14BrFN2O — CID 61005182

IUPAC2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
SMILESCc1cccc(NC(C(N)=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O/c1-9-3-2-4-11(7-9)19-14(15(18)20)12-8-10(16)5-6-13(12)17/h2-8,14,19H,1H3,(H2,18,20)
InChIKeyKPNNLLCDWYNCBS-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.54
Rot. Bonds4

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

2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide (PubChem CID 61005182) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
PubChem CID61005182
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
SMILESCc1cccc(NC(C(N)=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O/c1-9-3-2-4-11(7-9)19-14(15(18)20)12-8-10(16)5-6-13(12)17/h2-8,14,19H,1H3,(H2,18,20)
InChIKeyKPNNLLCDWYNCBS-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-2-(3-methylanilino)acetamide
CID 61005085
2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61004978
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)acetamide
CID 61004958
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
2-(3-bromoanilino)-2-(2,4-dichlorophenyl)acetamide
CID 61005205
2-(5-bromothiophen-2-yl)-2-(3-methylanilino)acetamide
CID 61345224
methyl 2-(5-bromo-2-fluorophenyl)-2-(4-chloroanilino)acetate
CID 60994342
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
methyl 2-(3-bromoanilino)-2-(2-fluorophenyl)acetate
CID 60992716
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide (CID 61005182) is 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide is Cc1cccc(NC(C(N)=O)c2cc(Br)ccc2F)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide?
The InChIKey is KPNNLLCDWYNCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-3-2-4-11(7-9)19-14(15(18)20)12-8-10(16)5-6-13(12)17/h2-8,14,19H,1H3,(H2,18,20).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide?
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide has a molecular weight of 337.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide is sourced from PubChem (CID 61005182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).