(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide

C10H10F2N2O — CID 117043406

IUPAC(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
SMILESCOc1cc(F)c(CN(C)C#N)cc1F
InChIInChI=1S/C10H10F2N2O/c1-14(6-13)5-7-3-9(12)10(15-2)4-8(7)11/h3-4H,5H2,1-2H3
InChIKeyNGTCFMCAJONDSW-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.89
Rot. Bonds3

About (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide

(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide (PubChem CID 117043406) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide.

Molecular Properties

Compound Name(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
PubChem CID117043406
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide
SMILESCOc1cc(F)c(CN(C)C#N)cc1F
InChIInChI=1S/C10H10F2N2O/c1-14(6-13)5-7-3-9(12)10(15-2)4-8(7)11/h3-4H,5H2,1-2H3
InChIKeyNGTCFMCAJONDSW-UHFFFAOYSA-N
XLogP1.89
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
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

2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
N-(bromomethyl)-1-(2,5-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 115262117
[(2,5-difluoro-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228148
(2,5-dimethoxy-4-methylphenyl)methyl-methylcyanamide
CID 117043361
(5-chloro-2-fluorophenyl)methyl-methylcyanamide
CID 117043375
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
CID 115175825
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
(5-tert-butyl-2-methoxyphenyl)methyl-methylcyanamide
CID 117043311
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 115129623
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362

Frequently Asked Questions

What is the IUPAC name of (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide?
The IUPAC name of (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide (CID 117043406) is (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide.
What is the SMILES notation for (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide?
The canonical SMILES for (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide is COc1cc(F)c(CN(C)C#N)cc1F.
What is the InChIKey of (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide?
The InChIKey is NGTCFMCAJONDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-14(6-13)5-7-3-9(12)10(15-2)4-8(7)11/h3-4H,5H2,1-2H3.
What are the key properties of (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide?
(2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide has a molecular weight of 212.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluoro-4-methoxyphenyl)methyl-methylcyanamide is sourced from PubChem (CID 117043406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).