N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide

C12H12F2N2O2 — CID 18588796

IUPACN'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide
SMILESO=C(NCc1c(F)cccc1F)C(=O)NC1CC1
InChIInChI=1S/C12H12F2N2O2/c13-9-2-1-3-10(14)8(9)6-15-11(17)12(18)16-7-4-5-7/h1-3,7H,4-6H2,(H,15,17)(H,16,18)
InChIKeyWGHKPJDNNDTPDH-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.86
Rot. Bonds3

About N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide

N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide (PubChem CID 18588796) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide
PubChem CID18588796
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide
SMILESO=C(NCc1c(F)cccc1F)C(=O)NC1CC1
InChIInChI=1S/C12H12F2N2O2/c13-9-2-1-3-10(14)8(9)6-15-11(17)12(18)16-7-4-5-7/h1-3,7H,4-6H2,(H,15,17)(H,16,18)
InChIKeyWGHKPJDNNDTPDH-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide (CID 18588796) is N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide is O=C(NCc1c(F)cccc1F)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide?
The InChIKey is WGHKPJDNNDTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c13-9-2-1-3-10(14)8(9)6-15-11(17)12(18)16-7-4-5-7/h1-3,7H,4-6H2,(H,15,17)(H,16,18).
What are the key properties of N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide?
N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide has a molecular weight of 254.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxamide is sourced from PubChem (CID 18588796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).