phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate

C15H13ClFNO2 — CID 60628603

IUPACphenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1c(F)cccc1Cl)C(=O)Oc1ccccc1
InChIInChI=1S/C15H13ClFNO2/c1-18(10-12-13(16)8-5-9-14(12)17)15(19)20-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyZQVLUOQYHNXVKK-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.11
Rot. Bonds3

About phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate

phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate (PubChem CID 60628603) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
PubChem CID60628603
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Namephenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
SMILESCN(Cc1c(F)cccc1Cl)C(=O)Oc1ccccc1
InChIInChI=1S/C15H13ClFNO2/c1-18(10-12-13(16)8-5-9-14(12)17)15(19)20-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyZQVLUOQYHNXVKK-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630456
2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974416
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate (CID 60628603) is phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate is CN(Cc1c(F)cccc1Cl)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is ZQVLUOQYHNXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-18(10-12-13(16)8-5-9-14(12)17)15(19)20-11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate?
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 293.73 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 60628603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).