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

C16H17BrN2O2 — CID 61004978

IUPAC2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
SMILESCOc1ccc(Br)cc1C(Nc1cccc(C)c1)C(N)=O
InChIInChI=1S/C16H17BrN2O2/c1-10-4-3-5-12(8-10)19-15(16(18)20)13-9-11(17)6-7-14(13)21-2/h3-9,15,19H,1-2H3,(H2,18,20)
InChIKeyXMTWMSGCOCELII-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.40
Rot. Bonds5

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

2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide (PubChem CID 61004978) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
PubChem CID61004978
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide
SMILESCOc1ccc(Br)cc1C(Nc1cccc(C)c1)C(N)=O
InChIInChI=1S/C16H17BrN2O2/c1-10-4-3-5-12(8-10)19-15(16(18)20)13-9-11(17)6-7-14(13)21-2/h3-9,15,19H,1-2H3,(H2,18,20)
InChIKeyXMTWMSGCOCELII-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 61005080
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)acetamide
CID 61005182
1-(5-bromo-2-methoxyphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377367
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
methyl 2-(2-bromophenyl)-2-(3-methylanilino)acetate
CID 60993931
2-(4-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62131360
2-(3-fluoro-5-methylanilino)-2-(2-methoxyphenyl)acetamide
CID 79044484
2-(5-bromo-2-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 54894280
2-(2,5-difluorophenyl)-2-(3-methylanilino)acetamide
CID 61005085
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide (CID 61004978) is 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide is COc1ccc(Br)cc1C(Nc1cccc(C)c1)C(N)=O.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide?
The InChIKey is XMTWMSGCOCELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-4-3-5-12(8-10)19-15(16(18)20)13-9-11(17)6-7-14(13)21-2/h3-9,15,19H,1-2H3,(H2,18,20).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide?
2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2-(3-methylanilino)acetamide is sourced from PubChem (CID 61004978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).