5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide

C18H22ClNO4 — CID 118784606

IUPAC5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)cc2cc(C(=O)N(C)CCCC3CCCO3)oc12
InChIInChI=1S/C18H22ClNO4/c1-20(7-3-5-14-6-4-8-23-14)18(21)16-10-12-9-13(19)11-15(22-2)17(12)24-16/h9-11,14H,3-8H2,1-2H3
InChIKeyNJKJSJDOAAHTLL-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.13
Rot. Bonds6

About 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide

5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 118784606) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide
PubChem CID118784606
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Name5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)cc2cc(C(=O)N(C)CCCC3CCCO3)oc12
InChIInChI=1S/C18H22ClNO4/c1-20(7-3-5-14-6-4-8-23-14)18(21)16-10-12-9-13(19)11-15(22-2)17(12)24-16/h9-11,14H,3-8H2,1-2H3
InChIKeyNJKJSJDOAAHTLL-UHFFFAOYSA-N
XLogP4.13
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
N,3-dimethyl-N-[3-(oxolan-2-yl)propyl]-5-propyl-1-benzofuran-2-carboxamide
CID 70742299
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 99931540
N'-(2-methoxyphenyl)-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159037
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide (CID 118784606) is 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide is COc1cc(Cl)cc2cc(C(=O)N(C)CCCC3CCCO3)oc12.
What is the InChIKey of 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is NJKJSJDOAAHTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4/c1-20(7-3-5-14-6-4-8-23-14)18(21)16-10-12-9-13(19)11-15(22-2)17(12)24-16/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide?
5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118784606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).