5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide

C18H21ClN2O3 — CID 110280522

IUPAC5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)C(=O)N2CCCCC2)oc2ccc(Cl)cc12
InChIInChI=1S/C18H21ClN2O3/c1-11-14-10-13(19)6-7-15(14)24-16(11)17(22)20-12(2)18(23)21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyKSCMYMUITLGUGX-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.53
Rot. Bonds3

About 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 110280522) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID110280522
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)C(=O)N2CCCCC2)oc2ccc(Cl)cc12
InChIInChI=1S/C18H21ClN2O3/c1-11-14-10-13(19)6-7-15(14)24-16(11)17(22)20-12(2)18(23)21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyKSCMYMUITLGUGX-UHFFFAOYSA-N
XLogP3.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047
(2S,3R)-2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964498
5-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 115884342
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 124689111
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
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 55812175
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119518615
5-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 27846207
5-chloro-3-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573380
5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 65307144
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide (CID 110280522) is 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)C(=O)N2CCCCC2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is KSCMYMUITLGUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11-14-10-13(19)6-7-15(14)24-16(11)17(22)20-12(2)18(23)21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110280522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).