N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide

C14H9BrF2N2O2 — CID 108522076

IUPACN-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
SMILESO=C(Nc1cccc(Br)c1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H9BrF2N2O2/c15-8-3-1-4-9(7-8)18-13(20)14(21)19-12-10(16)5-2-6-11(12)17/h1-7H,(H,18,20)(H,19,21)
InChIKeyCQAVMQQJXZUISY-UHFFFAOYSA-N
MW355.14 g/mol
LogP3.30
Rot. Bonds2

About N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide

N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide (PubChem CID 108522076) has the molecular formula C14H9BrF2N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
PubChem CID108522076
Molecular FormulaC14H9BrF2N2O2
Molecular Weight355.14 g/mol
Exact Mass353.98
IUPAC NameN-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
SMILESO=C(Nc1cccc(Br)c1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H9BrF2N2O2/c15-8-3-1-4-9(7-8)18-13(20)14(21)19-12-10(16)5-2-6-11(12)17/h1-7H,(H,18,20)(H,19,21)
InChIKeyCQAVMQQJXZUISY-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
2-N-(3-bromophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144039
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
CID 878957
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide?
The IUPAC name of N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide (CID 108522076) is N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide is O=C(Nc1cccc(Br)c1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide?
The InChIKey is CQAVMQQJXZUISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O2/c15-8-3-1-4-9(7-8)18-13(20)14(21)19-12-10(16)5-2-6-11(12)17/h1-7H,(H,18,20)(H,19,21).
What are the key properties of N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide?
N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide has a molecular weight of 355.14 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide is sourced from PubChem (CID 108522076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).