N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide

C10H9BrN2O2 — CID 115172151

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
SMILESCOc1ccc(Br)cc1CNC(=O)C#N
InChIInChI=1S/C10H9BrN2O2/c1-15-9-3-2-8(11)4-7(9)6-13-10(14)5-12/h2-4H,6H2,1H3,(H,13,14)
InChIKeyOSDFELGKADJSDQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.60
Rot. Bonds3

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide

N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide (PubChem CID 115172151) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
PubChem CID115172151
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide
SMILESCOc1ccc(Br)cc1CNC(=O)C#N
InChIInChI=1S/C10H9BrN2O2/c1-15-9-3-2-8(11)4-7(9)6-13-10(14)5-12/h2-4H,6H2,1H3,(H,13,14)
InChIKeyOSDFELGKADJSDQ-UHFFFAOYSA-N
XLogP1.60
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
ethyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-2-oxoacetate
CID 115141965
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
N-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 49172929
5-bromo-2-methoxybenzonitrile;tert-butyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 159150361
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165713
2-[(5-bromo-2-methoxyphenyl)methylamino]ethylurea
CID 83111448
1-cyano-N-[(4,5-dimethoxy-2-methylphenyl)methyl]formamide
CID 115172196
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115154641
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide (CID 115172151) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide is COc1ccc(Br)cc1CNC(=O)C#N.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide?
The InChIKey is OSDFELGKADJSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-15-9-3-2-8(11)4-7(9)6-13-10(14)5-12/h2-4H,6H2,1H3,(H,13,14).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide has a molecular weight of 269.10 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyanoformamide is sourced from PubChem (CID 115172151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).