N-[2-(3-bromo-5-methylanilino)ethyl]acetamide

C11H15BrN2O — CID 107583175

IUPACN-[2-(3-bromo-5-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)cc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-5-10(12)7-11(6-8)14-4-3-13-9(2)15/h5-7,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyPUFWHFZOHHFMIR-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(3-bromo-5-methylanilino)ethyl]acetamide

N-[2-(3-bromo-5-methylanilino)ethyl]acetamide (PubChem CID 107583175) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-[2-(3-bromo-5-methylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-5-methylanilino)ethyl]acetamide
PubChem CID107583175
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-[2-(3-bromo-5-methylanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)cc(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-8-5-10(12)7-11(6-8)14-4-3-13-9(2)15/h5-7,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyPUFWHFZOHHFMIR-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860
3-(3-bromo-5-methylanilino)propanoic acid
CID 107583064
4-(3-bromo-5-methylanilino)butanoic acid
CID 107583188
N-[2-(3,5-dichloroanilino)ethyl]acetamide
CID 82539545
2-(3-bromo-5-methylanilino)-N-methylacetamide
CID 107583333
N-[2-(4-acetylanilino)ethyl]acetamide
CID 115573849
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
N-[2-(4-bromo-5-fluoro-2-methylanilino)ethyl]acetamide
CID 107530080
2-[(3-bromo-5-methylanilino)methyl]prop-2-enoic acid
CID 107584238
methyl 3-(3-bromo-5-methylanilino)-2,2-dimethylpropanoate
CID 107583294
3-bromo-N-(2,2-difluoroethyl)-5-methylaniline
CID 107583058
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-5-methylanilino)ethyl]acetamide?
The IUPAC name of N-[2-(3-bromo-5-methylanilino)ethyl]acetamide (CID 107583175) is N-[2-(3-bromo-5-methylanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-bromo-5-methylanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(3-bromo-5-methylanilino)ethyl]acetamide is CC(=O)NCCNc1cc(C)cc(Br)c1.
What is the InChIKey of N-[2-(3-bromo-5-methylanilino)ethyl]acetamide?
The InChIKey is PUFWHFZOHHFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-5-10(12)7-11(6-8)14-4-3-13-9(2)15/h5-7,14H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-bromo-5-methylanilino)ethyl]acetamide?
N-[2-(3-bromo-5-methylanilino)ethyl]acetamide has a molecular weight of 271.16 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-5-methylanilino)ethyl]acetamide is sourced from PubChem (CID 107583175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).