N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide

C23H24BrN3O3 — CID 16589755

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C23H24BrN3O3/c1-15-19-13-16(24)7-8-20(19)30-22(15)23(29)26-18-9-11-27(12-10-18)14-21(28)25-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyRIUKKZFNZNHIBI-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.34
Rot. Bonds5

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 16589755) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
PubChem CID16589755
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C23H24BrN3O3/c1-15-19-13-16(24)7-8-20(19)30-22(15)23(29)26-18-9-11-27(12-10-18)14-21(28)25-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyRIUKKZFNZNHIBI-UHFFFAOYSA-N
XLogP4.34
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 32527372
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1443803
5-bromo-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 44841757
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-bromophenyl)sulfanylpropanamide
CID 55832851
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-[4-[[2-(4-bromo-2-chloro-6-methylphenoxy)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 16613375

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide (CID 16589755) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)oc2ccc(Br)cc12.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RIUKKZFNZNHIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-15-19-13-16(24)7-8-20(19)30-22(15)23(29)26-18-9-11-27(12-10-18)14-21(28)25-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16589755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).