3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide

C15H19ClN2O2 — CID 102669720

IUPAC3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC3CCC(O)C3C2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c16-13-5-9(15(17)20)1-2-11(13)7-18-6-10-3-4-14(19)12(10)8-18/h1-2,5,10,12,14,19H,3-4,6-8H2,(H2,17,20)
InChIKeyFPIYLUFFBKOJAZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.64
Rot. Bonds3

About 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide

3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide (PubChem CID 102669720) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
PubChem CID102669720
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CC3CCC(O)C3C2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c16-13-5-9(15(17)20)1-2-11(13)7-18-6-10-3-4-14(19)12(10)8-18/h1-2,5,10,12,14,19H,3-4,6-8H2,(H2,17,20)
InChIKeyFPIYLUFFBKOJAZ-UHFFFAOYSA-N
XLogP1.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide
CID 114485293
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
3-chloro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 102669284
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
3-chloro-4-[(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzamide
CID 103195913
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
CID 102669228
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-chlorobenzenecarbothioamide
CID 102666075
2-[(2-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399519
3-chloro-4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 102669705

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide (CID 102669720) is 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide is NC(=O)c1ccc(CN2CC3CCC(O)C3C2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide?
The InChIKey is FPIYLUFFBKOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-5-9(15(17)20)1-2-11(13)7-18-6-10-3-4-14(19)12(10)8-18/h1-2,5,10,12,14,19H,3-4,6-8H2,(H2,17,20).
What are the key properties of 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide?
3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide has a molecular weight of 294.78 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 102669720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).