2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide

C23H21ClN2O2 — CID 90338567

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(C(O)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C23H21ClN2O2/c24-17-4-1-3-16(12-17)21-13-19(18-5-2-6-20(18)26-21)23(28)15-9-7-14(8-10-15)11-22(25)27/h1,3-4,7-10,12-13,23,28H,2,5-6,11H2,(H2,25,27)
InChIKeyWVRKLMWGDUVEBG-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide (PubChem CID 90338567) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide
PubChem CID90338567
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(C(O)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C23H21ClN2O2/c24-17-4-1-3-16(12-17)21-13-19(18-5-2-6-20(18)26-21)23(28)15-9-7-14(8-10-15)11-22(25)27/h1,3-4,7-10,12-13,23,28H,2,5-6,11H2,(H2,25,27)
InChIKeyWVRKLMWGDUVEBG-UHFFFAOYSA-N
XLogP4.00
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide (CID 90338567) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide is NC(=O)Cc1ccc(C(O)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide?
The InChIKey is WVRKLMWGDUVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-17-4-1-3-16(12-17)21-13-19(18-5-2-6-20(18)26-21)23(28)15-9-7-14(8-10-15)11-22(25)27/h1,3-4,7-10,12-13,23,28H,2,5-6,11H2,(H2,25,27).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide has a molecular weight of 392.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]-hydroxymethyl]phenyl]acetamide is sourced from PubChem (CID 90338567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).