5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C20H21ClN2O2 — CID 46616235

IUPAC5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H21ClN2O2/c21-15-8-9-18-14(12-15)13-19(25-18)20(24)22-16-6-2-3-7-17(16)23-10-4-1-5-11-23/h2-3,6-9,12,19H,1,4-5,10-11,13H2,(H,22,24)
InChIKeySLUGOYPMQDRPDK-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.27
Rot. Bonds3

About 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 46616235) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID46616235
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H21ClN2O2/c21-15-8-9-18-14(12-15)13-19(25-18)20(24)22-16-6-2-3-7-17(16)23-10-4-1-5-11-23/h2-3,6-9,12,19H,1,4-5,10-11,13H2,(H,22,24)
InChIKeySLUGOYPMQDRPDK-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711
5-chloro-N-[2-(dimethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46600537
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 25409056
5-chloro-N-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013499
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
5-chloro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166206767
5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55654534
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
(2R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26692549
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
(2R)-5-chloro-N-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 35035471

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 46616235) is 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1N1CCCCC1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SLUGOYPMQDRPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-15-8-9-18-14(12-15)13-19(25-18)20(24)22-16-6-2-3-7-17(16)23-10-4-1-5-11-23/h2-3,6-9,12,19H,1,4-5,10-11,13H2,(H,22,24).
What are the key properties of 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46616235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).