N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide

C10H8F2N2O — CID 164823078

IUPACN-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C10H8F2N2O/c1-13-6-10(15)14-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,(H,14,15)
InChIKeyRNWQPZBOFIBJMB-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.50
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide

N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide (PubChem CID 164823078) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
PubChem CID164823078
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NCc1c(F)cccc1F
InChIInChI=1S/C10H8F2N2O/c1-13-6-10(15)14-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,(H,14,15)
InChIKeyRNWQPZBOFIBJMB-UHFFFAOYSA-N
XLogP1.50
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
N-[(3,4-difluorophenyl)methyl]-2-isocyanoacetamide
CID 59099086
N-(2-fluorophenyl)-2-isocyanoacetamide
CID 108814748
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 146597480
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
N-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxybutanamide
CID 94688694
N-[(2,6-difluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 110838402
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
(2,6-difluorophenyl)methylthiourea;hydrobromide
CID 173140070

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide (CID 164823078) is N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide is [C-]#[N+]CC(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide?
The InChIKey is RNWQPZBOFIBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-13-6-10(15)14-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,(H,14,15).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide?
N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide has a molecular weight of 210.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide is sourced from PubChem (CID 164823078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).