2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C11H14FN3O2 — CID 2541148

IUPAC2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(N)=O
InChIInChI=1S/C11H14FN3O2/c1-15(10(16)6-14-11(13)17)7-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H3,13,14,17)
InChIKeyMQUYWFXBCXLFQM-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.45
Rot. Bonds4

About 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 2541148) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID2541148
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(N)=O
InChIInChI=1S/C11H14FN3O2/c1-15(10(16)6-14-11(13)17)7-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H3,13,14,17)
InChIKeyMQUYWFXBCXLFQM-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 2541148) is 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is MQUYWFXBCXLFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-15(10(16)6-14-11(13)17)7-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H3,13,14,17).
What are the key properties of 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 239.25 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2541148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).