5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H23ClN2O2 — CID 55654534

IUPAC5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C21H23ClN2O2/c22-17-7-8-19-16(12-17)13-20(26-19)21(25)23-18-6-4-5-15(11-18)14-24-9-2-1-3-10-24/h4-8,11-12,20H,1-3,9-10,13-14H2,(H,23,25)
InChIKeyBOZPZLBYMGVVMC-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.27
Rot. Bonds4

About 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55654534) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55654534
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C21H23ClN2O2/c22-17-7-8-19-16(12-17)13-20(26-19)21(25)23-18-6-4-5-15(11-18)14-24-9-2-1-3-10-24/h4-8,11-12,20H,1-3,9-10,13-14H2,(H,23,25)
InChIKeyBOZPZLBYMGVVMC-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2R)-5-chloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9207440
5-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55749037
(4-benzyl-1,4-diazepan-1-yl)-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanone
CID 46422144
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112821465
(2R)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
(2R)-5-chloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51497719
5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17404054
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55654534) is 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1cccc(CN2CCCCC2)c1)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BOZPZLBYMGVVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-7-8-19-16(12-17)13-20(26-19)21(25)23-18-6-4-5-15(11-18)14-24-9-2-1-3-10-24/h4-8,11-12,20H,1-3,9-10,13-14H2,(H,23,25).
What are the key properties of 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55654534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).