1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide

C10H9FN2O — CID 115172406

IUPAC1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
SMILESCN(Cc1cccc(F)c1)C(=O)C#N
InChIInChI=1S/C10H9FN2O/c1-13(10(14)6-12)7-8-3-2-4-9(11)5-8/h2-5H,7H2,1H3
InChIKeyWQXNFOFYJNWBBF-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.31
Rot. Bonds2

About 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide

1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide (PubChem CID 115172406) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide.

Molecular Properties

Compound Name1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
PubChem CID115172406
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
SMILESCN(Cc1cccc(F)c1)C(=O)C#N
InChIInChI=1S/C10H9FN2O/c1-13(10(14)6-12)7-8-3-2-4-9(11)5-8/h2-5H,7H2,1H3
InChIKeyWQXNFOFYJNWBBF-UHFFFAOYSA-N
XLogP1.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-[(3-cyanophenyl)methylsulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8965051
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide?
The IUPAC name of 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide (CID 115172406) is 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide.
What is the SMILES notation for 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide?
The canonical SMILES for 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide is CN(Cc1cccc(F)c1)C(=O)C#N.
What is the InChIKey of 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide?
The InChIKey is WQXNFOFYJNWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13(10(14)6-12)7-8-3-2-4-9(11)5-8/h2-5H,7H2,1H3.
What are the key properties of 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide?
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide has a molecular weight of 192.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide is sourced from PubChem (CID 115172406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).