5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide

C14H19BrN2O3 — CID 2989614

IUPAC5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C14H19BrN2O3/c1-17(10-5-3-2-4-6-10)13(18)9-16-14(19)11-7-8-12(15)20-11/h7-8,10H,2-6,9H2,1H3,(H,16,19)
InChIKeyJDKRCJFKAOOUQW-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 2989614) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID2989614
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C14H19BrN2O3/c1-17(10-5-3-2-4-6-10)13(18)9-16-14(19)11-7-8-12(15)20-11/h7-8,10H,2-6,9H2,1H3,(H,16,19)
InChIKeyJDKRCJFKAOOUQW-UHFFFAOYSA-N
XLogP2.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 2989614) is 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide is CN(C(=O)CNC(=O)c1ccc(Br)o1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is JDKRCJFKAOOUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-17(10-5-3-2-4-6-10)13(18)9-16-14(19)11-7-8-12(15)20-11/h7-8,10H,2-6,9H2,1H3,(H,16,19).
What are the key properties of 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2989614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).