6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride

C21H28BrClN2O3 — CID 52984463

IUPAC6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)oc2cc(Br)ccc12.Cl
InChIInChI=1S/C21H27BrN2O3.ClH/c1-15-17-6-5-16(22)13-18(17)27-19(15)20(25)23-14-21(7-3-2-4-8-21)24-9-11-26-12-10-24;/h5-6,13H,2-4,7-12,14H2,1H3,(H,23,25);1H
InChIKeyPOPITXGSULFGAY-UHFFFAOYSA-N
MW471.82 g/mol
LogP4.69
Rot. Bonds4

About 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride

6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 52984463) has the molecular formula C21H28BrClN2O3 and a molecular weight of 471.82 g/mol. Its IUPAC name is 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID52984463
Molecular FormulaC21H28BrClN2O3
Molecular Weight471.82 g/mol
Exact Mass470.10
IUPAC Name6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)oc2cc(Br)ccc12.Cl
InChIInChI=1S/C21H27BrN2O3.ClH/c1-15-17-6-5-16(22)13-18(17)27-19(15)20(25)23-14-21(7-3-2-4-8-21)24-9-11-26-12-10-24;/h5-6,13H,2-4,7-12,14H2,1H3,(H,23,25);1H
InChIKeyPOPITXGSULFGAY-UHFFFAOYSA-N
XLogP4.69
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.82
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 3950385
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
6-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-indole-2-carboxamide
CID 39430292
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052711
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 30255015
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55451163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 52984463) is 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCC2(N3CCOCC3)CCCCC2)oc2cc(Br)ccc12.Cl.
What is the InChIKey of 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is POPITXGSULFGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3.ClH/c1-15-17-6-5-16(22)13-18(17)27-19(15)20(25)23-14-21(7-3-2-4-8-21)24-9-11-26-12-10-24;/h5-6,13H,2-4,7-12,14H2,1H3,(H,23,25);1H.
What are the key properties of 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride?
6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 471.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 52984463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).