ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate

C17H19FN2O3 — CID 10087234

IUPACethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cccc(F)c2)cc1OC
InChIInChI=1S/C17H19FN2O3/c1-3-23-17(21)20-15-8-7-14(10-16(15)22-2)19-11-12-5-4-6-13(18)9-12/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyIMLUDSPLHDRIPO-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.01
Rot. Bonds6

About ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate

ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate (PubChem CID 10087234) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate
PubChem CID10087234
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Nameethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cccc(F)c2)cc1OC
InChIInChI=1S/C17H19FN2O3/c1-3-23-17(21)20-15-8-7-14(10-16(15)22-2)19-11-12-5-4-6-13(18)9-12/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyIMLUDSPLHDRIPO-UHFFFAOYSA-N
XLogP4.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
The IUPAC name of ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate (CID 10087234) is ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate is CCOC(=O)Nc1ccc(NCc2cccc(F)c2)cc1OC.
What is the InChIKey of ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
The InChIKey is IMLUDSPLHDRIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-3-23-17(21)20-15-8-7-14(10-16(15)22-2)19-11-12-5-4-6-13(18)9-12/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate?
ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate has a molecular weight of 318.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(3-fluorophenyl)methylamino]-2-methoxyphenyl]carbamate is sourced from PubChem (CID 10087234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).