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

C20H21ClN2O2 — CID 26707711

IUPAC(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H21ClN2O2/c21-15-8-9-17(23-10-4-1-5-11-23)16(13-15)22-20(24)19-12-14-6-2-3-7-18(14)25-19/h2-3,6-9,13,19H,1,4-5,10-12H2,(H,22,24)/t19-/m1/s1
InChIKeyGDYFDRNOUPBIDM-LJQANCHMSA-N
MW356.85 g/mol
LogP4.27
Rot. Bonds3

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

(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26707711) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26707711
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C20H21ClN2O2/c21-15-8-9-17(23-10-4-1-5-11-23)16(13-15)22-20(24)19-12-14-6-2-3-7-18(14)25-19/h2-3,6-9,13,19H,1,4-5,10-12H2,(H,22,24)/t19-/m1/s1
InChIKeyGDYFDRNOUPBIDM-LJQANCHMSA-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

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090179
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
(3R)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2670278
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 25409056
1-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55695180
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
(2R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51465606
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
CID 7892275
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26707711) is (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GDYFDRNOUPBIDM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-15-8-9-17(23-10-4-1-5-11-23)16(13-15)22-20(24)19-12-14-6-2-3-7-18(14)25-19/h2-3,6-9,13,19H,1,4-5,10-12H2,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(5-chloro-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 (2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26707711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).