(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone

C20H19ClN2O2 — CID 55764469

IUPAC(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCCCCC1c1ccncc1
InChIInChI=1S/C20H19ClN2O2/c21-16-5-6-18-15(12-16)13-19(25-18)20(24)23-11-3-1-2-4-17(23)14-7-9-22-10-8-14/h5-10,12-13,17H,1-4,11H2
InChIKeyCVQQFGXZCXFXNU-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.24
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone

(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone (PubChem CID 55764469) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
PubChem CID55764469
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)N1CCCCCC1c1ccncc1
InChIInChI=1S/C20H19ClN2O2/c21-16-5-6-18-15(12-16)13-19(25-18)20(24)23-11-3-1-2-4-17(23)14-7-9-22-10-8-14/h5-10,12-13,17H,1-4,11H2
InChIKeyCVQQFGXZCXFXNU-UHFFFAOYSA-N
XLogP5.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94808587
1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249820
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 9400529
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634619
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
(4-chloro-3-methylsulfonylphenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764698
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
1-(4-chlorophenyl)-3-(2-pyridin-4-ylazepane-1-carbonyl)pyrrolidin-2-one
CID 86829334
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764495
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
(5-amino-1-benzofuran-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633745

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone (CID 55764469) is (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone is O=C(c1cc2cc(Cl)ccc2o1)N1CCCCCC1c1ccncc1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
The InChIKey is CVQQFGXZCXFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-16-5-6-18-15(12-16)13-19(25-18)20(24)23-11-3-1-2-4-17(23)14-7-9-22-10-8-14/h5-10,12-13,17H,1-4,11H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone has a molecular weight of 354.84 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone is sourced from PubChem (CID 55764469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).