2-(3-bromo-5-methylanilino)-N-methylacetamide

C10H13BrN2O — CID 107583333

IUPAC2-(3-bromo-5-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1cc(C)cc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-3-8(11)5-9(4-7)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyJLDOAODWIIOJGR-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-bromo-5-methylanilino)-N-methylacetamide

2-(3-bromo-5-methylanilino)-N-methylacetamide (PubChem CID 107583333) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(3-bromo-5-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-methylanilino)-N-methylacetamide
PubChem CID107583333
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-(3-bromo-5-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1cc(C)cc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-7-3-8(11)5-9(4-7)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyJLDOAODWIIOJGR-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
CID 104937840
2-[(3-bromo-5-methylanilino)methyl]prop-2-enoic acid
CID 107584238
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-(3-bromo-5-methylanilino)propanoic acid
CID 107583064
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
N-[2-(3-bromo-5-methylanilino)ethyl]acetamide
CID 107583175
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
4-(3-bromo-5-methylanilino)butanoic acid
CID 107583188
methyl 3-(3-bromo-5-methylanilino)-2,2-dimethylpropanoate
CID 107583294
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(3-bromo-5-methylanilino)-N-methylacetamide (CID 107583333) is 2-(3-bromo-5-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3-bromo-5-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(3-bromo-5-methylanilino)-N-methylacetamide is CNC(=O)CNc1cc(C)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-methylanilino)-N-methylacetamide?
The InChIKey is JLDOAODWIIOJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-3-8(11)5-9(4-7)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14).
What are the key properties of 2-(3-bromo-5-methylanilino)-N-methylacetamide?
2-(3-bromo-5-methylanilino)-N-methylacetamide has a molecular weight of 257.13 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylanilino)-N-methylacetamide is sourced from PubChem (CID 107583333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).