ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate

C17H17FN2O3 — CID 9375024

IUPACethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O3/c1-2-23-17(22)20-14-8-5-7-12(10-14)16(21)19-11-13-6-3-4-9-15(13)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWQNRLZCSQBHOQH-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.32
Rot. Bonds5

About ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate

ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 9375024) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
PubChem CID9375024
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Nameethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O3/c1-2-23-17(22)20-14-8-5-7-12(10-14)16(21)19-11-13-6-3-4-9-15(13)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWQNRLZCSQBHOQH-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl N-[3-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]carbamate
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1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate (CID 9375024) is ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is WQNRLZCSQBHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-2-23-17(22)20-14-8-5-7-12(10-14)16(21)19-11-13-6-3-4-9-15(13)18/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate?
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 9375024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).