2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate

C10H12ClFN2O2 — CID 83211387

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate
SMILESNC(=O)OCCNCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFN2O2/c11-8-2-1-3-9(12)7(8)6-14-4-5-16-10(13)15/h1-3,14H,4-6H2,(H2,13,15)
InChIKeyLFKUFWAONFCAFS-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.66
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate

2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate (PubChem CID 83211387) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate
PubChem CID83211387
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate
SMILESNC(=O)OCCNCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFN2O2/c11-8-2-1-3-9(12)7(8)6-14-4-5-16-10(13)15/h1-3,14H,4-6H2,(H2,13,15)
InChIKeyLFKUFWAONFCAFS-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
CID 82533014
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl carbamate
CID 112607237
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
CID 43426770
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
N-[(2-chloro-6-fluorophenyl)methyl]-2-hydroxyacetamide
CID 82127264
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate (CID 83211387) is 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate is NC(=O)OCCNCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate?
The InChIKey is LFKUFWAONFCAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c11-8-2-1-3-9(12)7(8)6-14-4-5-16-10(13)15/h1-3,14H,4-6H2,(H2,13,15).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate?
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate has a molecular weight of 246.67 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]ethyl carbamate is sourced from PubChem (CID 83211387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).