[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate

C17H17FN2O3 — CID 68845047

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate
SMILESCN(Cc1ccc(F)cc1)C(=O)C(OC(N)=O)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c1-20(11-12-7-9-14(18)10-8-12)16(21)15(23-17(19)22)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,19,22)
InChIKeyPUHPFKJTRMKIDR-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.62
Rot. Bonds5

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate (PubChem CID 68845047) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate
PubChem CID68845047
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate
SMILESCN(Cc1ccc(F)cc1)C(=O)C(OC(N)=O)c1ccccc1
InChIInChI=1S/C17H17FN2O3/c1-20(11-12-7-9-14(18)10-8-12)16(21)15(23-17(19)22)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,19,22)
InChIKeyPUHPFKJTRMKIDR-UHFFFAOYSA-N
XLogP2.62
TPSA72.63 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate (CID 68845047) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate is CN(Cc1ccc(F)cc1)C(=O)C(OC(N)=O)c1ccccc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate?
The InChIKey is PUHPFKJTRMKIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-20(11-12-7-9-14(18)10-8-12)16(21)15(23-17(19)22)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H2,19,22).
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate has a molecular weight of 316.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl] carbamate is sourced from PubChem (CID 68845047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).