5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide

C20H19ClN2O2 — CID 55812175

IUPAC5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N3CCCC3)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H19ClN2O2/c1-13-17-11-14(21)7-8-18(17)25-19(13)20(24)22-15-5-4-6-16(12-15)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,24)
InChIKeyDFROHFUNCNJIFH-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.25
Rot. Bonds3

About 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 55812175) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID55812175
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N3CCCC3)c2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H19ClN2O2/c1-13-17-11-14(21)7-8-18(17)25-19(13)20(24)22-15-5-4-6-16(12-15)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,24)
InChIKeyDFROHFUNCNJIFH-UHFFFAOYSA-N
XLogP5.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
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3-methyl-N-[(2R)-2-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide
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5-chloro-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-benzofuran-2-carboxamide
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N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
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5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
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5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide (CID 55812175) is 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(N3CCCC3)c2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DFROHFUNCNJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13-17-11-14(21)7-8-18(17)25-19(13)20(24)22-15-5-4-6-16(12-15)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,24).
What are the key properties of 5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 5.25, 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-(3-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55812175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).