5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

C20H22Cl2N2O4 — CID 52985339

IUPAC5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(c2ccco2)N2CCOCC2)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C20H21ClN2O4.ClH/c1-13-15-11-14(21)4-5-17(15)27-19(13)20(24)22-12-16(18-3-2-8-26-18)23-6-9-25-10-7-23;/h2-5,8,11,16H,6-7,9-10,12H2,1H3,(H,22,24);1H
InChIKeyAUKTZYVCKBFGNA-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.21
Rot. Bonds5

About 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 52985339) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID52985339
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC(c2ccco2)N2CCOCC2)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C20H21ClN2O4.ClH/c1-13-15-11-14(21)4-5-17(15)27-19(13)20(24)22-12-16(18-3-2-8-26-18)23-6-9-25-10-7-23;/h2-5,8,11,16H,6-7,9-10,12H2,1H3,(H,22,24);1H
InChIKeyAUKTZYVCKBFGNA-UHFFFAOYSA-N
XLogP4.21
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 29105864
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4807750
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45136478
5-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7692988
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
5-chloro-3-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573380
5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052731
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
5-chloro-3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 17013877
3,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 35577669
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17434166

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 52985339) is 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCC(c2ccco2)N2CCOCC2)oc2ccc(Cl)cc12.Cl.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is AUKTZYVCKBFGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4.ClH/c1-13-15-11-14(21)4-5-17(15)27-19(13)20(24)22-12-16(18-3-2-8-26-18)23-6-9-25-10-7-23;/h2-5,8,11,16H,6-7,9-10,12H2,1H3,(H,22,24);1H.
What are the key properties of 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 425.31 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 52985339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).