N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C13H10F2N2O2 — CID 3489652

IUPACN-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2N2O2/c1-17-6-2-3-11(17)12(18)13(19)16-8-4-5-9(14)10(15)7-8/h2-7H,1H3,(H,16,19)
InChIKeyMHRLAAFXGUQIOM-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.12
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 3489652) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID3489652
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC NameN-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2N2O2/c1-17-6-2-3-11(17)12(18)13(19)16-8-4-5-9(14)10(15)7-8/h2-7H,1H3,(H,16,19)
InChIKeyMHRLAAFXGUQIOM-UHFFFAOYSA-N
XLogP2.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 3489652) is N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is Cn1cccc1C(=O)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is MHRLAAFXGUQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-17-6-2-3-11(17)12(18)13(19)16-8-4-5-9(14)10(15)7-8/h2-7H,1H3,(H,16,19).
What are the key properties of N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 264.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 3489652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).