7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide

C17H19ClN2O4 — CID 167925354

IUPAC7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCC(O)C(C)C(=O)N1CC(NC(=O)c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C17H19ClN2O4/c1-9(10(2)21)17(23)20-7-12(8-20)19-16(22)14-6-11-4-3-5-13(18)15(11)24-14/h3-6,9-10,12,21H,7-8H2,1-2H3,(H,19,22)
InChIKeyDNVNQEWZWWKJFG-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.04
Rot. Bonds4

About 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide

7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 167925354) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID167925354
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCC(O)C(C)C(=O)N1CC(NC(=O)c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C17H19ClN2O4/c1-9(10(2)21)17(23)20-7-12(8-20)19-16(22)14-6-11-4-3-5-13(18)15(11)24-14/h3-6,9-10,12,21H,7-8H2,1-2H3,(H,19,22)
InChIKeyDNVNQEWZWWKJFG-UHFFFAOYSA-N
XLogP2.04
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(7-chloro-1-benzofuran-2-carbonyl)amino]pyrrolidine-1-carboxylate
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7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
CID 111970426
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
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1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114725938
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114725485
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
CID 114725382
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide (CID 167925354) is 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide is CC(O)C(C)C(=O)N1CC(NC(=O)c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is DNVNQEWZWWKJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-9(10(2)21)17(23)20-7-12(8-20)19-16(22)14-6-11-4-3-5-13(18)15(11)24-14/h3-6,9-10,12,21H,7-8H2,1-2H3,(H,19,22).
What are the key properties of 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide?
7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167925354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).