ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate

C18H20FN3O3 — CID 47070316

IUPACethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H20FN3O3/c1-3-25-18(24)22(2)15-10-8-14(9-11-15)21-17(23)20-12-13-6-4-5-7-16(13)19/h4-11H,3,12H2,1-2H3,(H2,20,21,23)
InChIKeyLGWJWCOVJOGSDS-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.74
Rot. Bonds5

About ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate

ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate (PubChem CID 47070316) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate
PubChem CID47070316
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Nameethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)c1ccc(NC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H20FN3O3/c1-3-25-18(24)22(2)15-10-8-14(9-11-15)21-17(23)20-12-13-6-4-5-7-16(13)19/h4-11H,3,12H2,1-2H3,(H2,20,21,23)
InChIKeyLGWJWCOVJOGSDS-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
CID 108897590
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-[4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 38157936
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
ethyl 2,2-difluoro-3-[(2-fluorophenyl)methylamino]-3-oxopropanoate
CID 112743058

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate (CID 47070316) is ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate is CCOC(=O)N(C)c1ccc(NC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate?
The InChIKey is LGWJWCOVJOGSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-25-18(24)22(2)15-10-8-14(9-11-15)21-17(23)20-12-13-6-4-5-7-16(13)19/h4-11H,3,12H2,1-2H3,(H2,20,21,23).
What are the key properties of ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate?
ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate has a molecular weight of 345.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-fluorophenyl)methylcarbamoylamino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 47070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).