N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide

C11H11BrN2O2 — CID 168523926

IUPACN-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
SMILESCOc1ccc(Br)c(C)c1NC(=O)CC#N
InChIInChI=1S/C11H11BrN2O2/c1-7-8(12)3-4-9(16-2)11(7)14-10(15)5-6-13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyTVQRCCFDVIWJOX-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.62
Rot. Bonds3

About N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide

N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide (PubChem CID 168523926) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
PubChem CID168523926
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide
SMILESCOc1ccc(Br)c(C)c1NC(=O)CC#N
InChIInChI=1S/C11H11BrN2O2/c1-7-8(12)3-4-9(16-2)11(7)14-10(15)5-6-13/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyTVQRCCFDVIWJOX-UHFFFAOYSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
CID 168521238
2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
CID 168520217
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-cyanoacetamide
CID 115173251
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
methyl 2-[(2-cyanoacetyl)amino]-5-fluoro-3-methoxybenzoate
CID 168523640
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
2-cyano-N-(3-ethenyl-4-methoxyphenyl)acetamide
CID 168523675

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide?
The IUPAC name of N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide (CID 168523926) is N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide?
The canonical SMILES for N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide is COc1ccc(Br)c(C)c1NC(=O)CC#N.
What is the InChIKey of N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide?
The InChIKey is TVQRCCFDVIWJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-8(12)3-4-9(16-2)11(7)14-10(15)5-6-13/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide?
N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide has a molecular weight of 283.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-6-methoxy-2-methylphenyl)-2-cyanoacetamide is sourced from PubChem (CID 168523926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).