3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide

C13H8BrClN2O2 — CID 71916490

IUPAC3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1occc1Br)c1cc(Cl)ccc1C#N
InChIInChI=1S/C13H8BrClN2O2/c1-17(13(18)12-10(14)4-5-19-12)11-6-9(15)3-2-8(11)7-16/h2-6H,1H3
InChIKeyHYRKANVHQLRUFV-UHFFFAOYSA-N
MW339.58 g/mol
LogP3.84
Rot. Bonds2

About 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide

3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide (PubChem CID 71916490) has the molecular formula C13H8BrClN2O2 and a molecular weight of 339.58 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide
PubChem CID71916490
Molecular FormulaC13H8BrClN2O2
Molecular Weight339.58 g/mol
Exact Mass337.95
IUPAC Name3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1occc1Br)c1cc(Cl)ccc1C#N
InChIInChI=1S/C13H8BrClN2O2/c1-17(13(18)12-10(14)4-5-19-12)11-6-9(15)3-2-8(11)7-16/h2-6H,1H3
InChIKeyHYRKANVHQLRUFV-UHFFFAOYSA-N
XLogP3.84
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide (CID 71916490) is 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide is CN(C(=O)c1occc1Br)c1cc(Cl)ccc1C#N.
What is the InChIKey of 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is HYRKANVHQLRUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2/c1-17(13(18)12-10(14)4-5-19-12)11-6-9(15)3-2-8(11)7-16/h2-6H,1H3.
What are the key properties of 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide?
3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide has a molecular weight of 339.58 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-cyanophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 71916490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).