benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate

C17H17FN2O3 — CID 19063809

IUPACbenzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)CN(C(=O)OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-19-16(21)11-20(15-9-7-14(18)8-10-15)17(22)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyVAONAXKJFZGTMR-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.71
Rot. Bonds5

About benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate

benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 19063809) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate
PubChem CID19063809
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Namebenzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCNC(=O)CN(C(=O)OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-19-16(21)11-20(15-9-7-14(18)8-10-15)17(22)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyVAONAXKJFZGTMR-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate (CID 19063809) is benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate is CNC(=O)CN(C(=O)OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is VAONAXKJFZGTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-19-16(21)11-20(15-9-7-14(18)8-10-15)17(22)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate?
benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 316.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 19063809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).