2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide

C13H15Cl2NO3 — CID 71785720

IUPAC2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CC(O)C(CO)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c14-8-1-2-11(15)10(4-8)13(19)16-9-3-7(6-17)12(18)5-9/h1-2,4,7,9,12,17-18H,3,5-6H2,(H,16,19)
InChIKeyRWVHXGVXFCVOIG-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.86
Rot. Bonds3

About 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide

2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 71785720) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID71785720
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1CC(O)C(CO)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2NO3/c14-8-1-2-11(15)10(4-8)13(19)16-9-3-7(6-17)12(18)5-9/h1-2,4,7,9,12,17-18H,3,5-6H2,(H,16,19)
InChIKeyRWVHXGVXFCVOIG-UHFFFAOYSA-N
XLogP1.86
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide (CID 71785720) is 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1CC(O)C(CO)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is RWVHXGVXFCVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-8-1-2-11(15)10(4-8)13(19)16-9-3-7(6-17)12(18)5-9/h1-2,4,7,9,12,17-18H,3,5-6H2,(H,16,19).
What are the key properties of 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 304.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 71785720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).