2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide

C15H13BrClFN2O — CID 79041273

IUPAC2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C15H13BrClFN2O/c1-8-4-10(18)7-11(5-8)20-14(15(19)21)12-6-9(17)2-3-13(12)16/h2-7,14,20H,1H3,(H2,19,21)
InChIKeySPMHZUVAYKGSLH-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide

2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide (PubChem CID 79041273) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
PubChem CID79041273
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
SMILESCc1cc(F)cc(NC(C(N)=O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C15H13BrClFN2O/c1-8-4-10(18)7-11(5-8)20-14(15(19)21)12-6-9(17)2-3-13(12)16/h2-7,14,20H,1H3,(H2,19,21)
InChIKeySPMHZUVAYKGSLH-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(2-bromo-5-chlorophenyl)acetamide
CID 66156253
2-(4-bromo-3-fluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 81431305
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79044745
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
(2S)-2-(3-chloro-4-hydroxyphenyl)-2-(3-fluoro-5-methylanilino)acetamide
CID 97055135
2-(3-bromo-4-chloroanilino)-2-(4-chloro-2-fluorophenyl)acetamide
CID 114843602
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79583974
2-(2,5-difluorophenyl)-2-(3-methylanilino)acetamide
CID 61005085
2-(3-fluoro-5-methylanilino)-2-(3-hydroxyphenyl)acetamide
CID 79055466
2-(3-bromo-4-chloroanilino)-2-(3,5-difluorophenyl)acetamide
CID 106528880
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
CID 61005182

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide (CID 79041273) is 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide is Cc1cc(F)cc(NC(C(N)=O)c2cc(Cl)ccc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
The InChIKey is SPMHZUVAYKGSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-8-4-10(18)7-11(5-8)20-14(15(19)21)12-6-9(17)2-3-13(12)16/h2-7,14,20H,1H3,(H2,19,21).
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide?
2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide has a molecular weight of 371.64 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(3-fluoro-5-methylanilino)acetamide is sourced from PubChem (CID 79041273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).