N-(2-cyano-6-methoxyphenyl)formamide

C9H8N2O2 — CID 107468180

IUPACN-(2-cyano-6-methoxyphenyl)formamide
SMILESCOc1cccc(C#N)c1NC=O
InChIInChI=1S/C9H8N2O2/c1-13-8-4-2-3-7(5-10)9(8)11-6-12/h2-4,6H,1H3,(H,11,12)
InChIKeyDUWBLPQZFDUDAF-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.14
Rot. Bonds3

About N-(2-cyano-6-methoxyphenyl)formamide

N-(2-cyano-6-methoxyphenyl)formamide (PubChem CID 107468180) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)formamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)formamide
PubChem CID107468180
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC NameN-(2-cyano-6-methoxyphenyl)formamide
SMILESCOc1cccc(C#N)c1NC=O
InChIInChI=1S/C9H8N2O2/c1-13-8-4-2-3-7(5-10)9(8)11-6-12/h2-4,6H,1H3,(H,11,12)
InChIKeyDUWBLPQZFDUDAF-UHFFFAOYSA-N
XLogP1.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-3-methoxybenzonitrile
CID 122401577
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
1-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
1-(2-chlorophenyl)-3-(2-cyano-6-methoxyphenyl)urea
CID 107468189
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
1-(2-cyano-6-methoxyphenyl)-3-pentylurea
CID 10377977

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)formamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)formamide (CID 107468180) is N-(2-cyano-6-methoxyphenyl)formamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)formamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)formamide is COc1cccc(C#N)c1NC=O.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)formamide?
The InChIKey is DUWBLPQZFDUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-8-4-2-3-7(5-10)9(8)11-6-12/h2-4,6H,1H3,(H,11,12).
What are the key properties of N-(2-cyano-6-methoxyphenyl)formamide?
N-(2-cyano-6-methoxyphenyl)formamide has a molecular weight of 176.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)formamide is sourced from PubChem (CID 107468180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).