5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide

C20H24BrN3O3 — CID 112834235

IUPAC5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCN1CCC(N(C)C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1
InChIInChI=1S/C20H24BrN3O3/c1-23-11-9-16(10-12-23)24(2)19(25)13-14-3-5-15(6-4-14)22-20(26)17-7-8-18(21)27-17/h3-8,16H,9-13H2,1-2H3,(H,22,26)
InChIKeyMWMHOXOFJYEZKM-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.39
Rot. Bonds5

About 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 112834235) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID112834235
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC Name5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCN1CCC(N(C)C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1
InChIInChI=1S/C20H24BrN3O3/c1-23-11-9-16(10-12-23)24(2)19(25)13-14-3-5-15(6-4-14)22-20(26)17-7-8-18(21)27-17/h3-8,16H,9-13H2,1-2H3,(H,22,26)
InChIKeyMWMHOXOFJYEZKM-UHFFFAOYSA-N
XLogP3.39
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide (CID 112834235) is 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide is CN1CCC(N(C)C(=O)Cc2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1.
What is the InChIKey of 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is MWMHOXOFJYEZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-23-11-9-16(10-12-23)24(2)19(25)13-14-3-5-15(6-4-14)22-20(26)17-7-8-18(21)27-17/h3-8,16H,9-13H2,1-2H3,(H,22,26).
What are the key properties of 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112834235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).