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

C11H13FN2O3 — CID 47300199

IUPACmethyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c1-17-11(16)14-7-10(15)13-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyYAIKPUXQULBOOI-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.80
Rot. Bonds4

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

methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate (PubChem CID 47300199) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
PubChem CID47300199
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Namemethyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c1-17-11(16)14-7-10(15)13-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyYAIKPUXQULBOOI-UHFFFAOYSA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate (CID 47300199) is methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is YAIKPUXQULBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-17-11(16)14-7-10(15)13-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate?
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 240.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47300199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).