2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide

C19H20ClN3O3 — CID 166286188

IUPAC2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide
SMILESO=C(Cc1cc2ccccc2o1)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O
InChIInChI=1S/C19H20ClN3O3/c20-14-9-21-23(11-14)10-12-5-16(17(24)6-12)22-19(25)8-15-7-13-3-1-2-4-18(13)26-15/h1-4,7,9,11-12,16-17,24H,5-6,8,10H2,(H,22,25)/t12?,16-,17-/m1/s1
InChIKeyOUAYCANMHJPLDZ-RIJFORKLSA-N
MW373.84 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide

2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide (PubChem CID 166286188) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide
PubChem CID166286188
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide
SMILESO=C(Cc1cc2ccccc2o1)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O
InChIInChI=1S/C19H20ClN3O3/c20-14-9-21-23(11-14)10-12-5-16(17(24)6-12)22-19(25)8-15-7-13-3-1-2-4-18(13)26-15/h1-4,7,9,11-12,16-17,24H,5-6,8,10H2,(H,22,25)/t12?,16-,17-/m1/s1
InChIKeyOUAYCANMHJPLDZ-RIJFORKLSA-N
XLogP2.78
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide (CID 166286188) is 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide is O=C(Cc1cc2ccccc2o1)N[C@@H]1CC(Cn2cc(Cl)cn2)C[C@H]1O.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide?
The InChIKey is OUAYCANMHJPLDZ-RIJFORKLSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-9-21-23(11-14)10-12-5-16(17(24)6-12)22-19(25)8-15-7-13-3-1-2-4-18(13)26-15/h1-4,7,9,11-12,16-17,24H,5-6,8,10H2,(H,22,25)/t12?,16-,17-/m1/s1.
What are the key properties of 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide?
2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide has a molecular weight of 373.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]acetamide is sourced from PubChem (CID 166286188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).