(4-fluoro-2-methoxyphenyl)cyanamide

C8H7FN2O — CID 62482272

IUPAC(4-fluoro-2-methoxyphenyl)cyanamide
SMILESCOc1cc(F)ccc1NC#N
InChIInChI=1S/C8H7FN2O/c1-12-8-4-6(9)2-3-7(8)11-5-10/h2-4,11H,1H3
InChIKeyOWKIZYVVWVBNDC-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.73
Rot. Bonds2

About (4-fluoro-2-methoxyphenyl)cyanamide

(4-fluoro-2-methoxyphenyl)cyanamide (PubChem CID 62482272) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is (4-fluoro-2-methoxyphenyl)cyanamide.

Molecular Properties

Compound Name(4-fluoro-2-methoxyphenyl)cyanamide
PubChem CID62482272
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name(4-fluoro-2-methoxyphenyl)cyanamide
SMILESCOc1cc(F)ccc1NC#N
InChIInChI=1S/C8H7FN2O/c1-12-8-4-6(9)2-3-7(8)11-5-10/h2-4,11H,1H3
InChIKeyOWKIZYVVWVBNDC-UHFFFAOYSA-N
XLogP1.73
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
3-bromo-4-(4-fluoro-2-methoxyanilino)benzonitrile
CID 82798283
4-(4-fluoro-2-methoxyanilino)pyridine-2-carbonitrile
CID 55156098
(5-chloro-2,4-dimethoxyphenyl)cyanamide
CID 62483892
(2,5-dimethoxyphenyl)cyanamide
CID 54806316
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-2-carbonitrile
CID 113250060
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
CID 115128962
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
2,4-difluoroaniline;(2,4-difluorophenyl)cyanamide
CID 87852004
(4-fluoro-2-phenylphenyl)cyanamide
CID 19089223
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxyphenyl)cyanamide?
The IUPAC name of (4-fluoro-2-methoxyphenyl)cyanamide (CID 62482272) is (4-fluoro-2-methoxyphenyl)cyanamide.
What is the SMILES notation for (4-fluoro-2-methoxyphenyl)cyanamide?
The canonical SMILES for (4-fluoro-2-methoxyphenyl)cyanamide is COc1cc(F)ccc1NC#N.
What is the InChIKey of (4-fluoro-2-methoxyphenyl)cyanamide?
The InChIKey is OWKIZYVVWVBNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-12-8-4-6(9)2-3-7(8)11-5-10/h2-4,11H,1H3.
What are the key properties of (4-fluoro-2-methoxyphenyl)cyanamide?
(4-fluoro-2-methoxyphenyl)cyanamide has a molecular weight of 166.15 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxyphenyl)cyanamide is sourced from PubChem (CID 62482272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).