3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

C18H24ClNO7 — CID 44816887

IUPAC3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1cc(Cl)cc(OC2OC(CO)C(O)C(O)C2O)c1
InChIInChI=1S/C18H24ClNO7/c19-10-5-9(17(25)20-11-3-1-2-4-11)6-12(7-10)26-18-16(24)15(23)14(22)13(8-21)27-18/h5-7,11,13-16,18,21-24H,1-4,8H2,(H,20,25)
InChIKeyLUTDQKUMAVSNSB-UHFFFAOYSA-N
MW401.84 g/mol
LogP0.19
Rot. Bonds5

About 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide

3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide (PubChem CID 44816887) has the molecular formula C18H24ClNO7 and a molecular weight of 401.84 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
PubChem CID44816887
Molecular FormulaC18H24ClNO7
Molecular Weight401.84 g/mol
Exact Mass401.12
IUPAC Name3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
SMILESO=C(NC1CCCC1)c1cc(Cl)cc(OC2OC(CO)C(O)C(O)C2O)c1
InChIInChI=1S/C18H24ClNO7/c19-10-5-9(17(25)20-11-3-1-2-4-11)6-12(7-10)26-18-16(24)15(23)14(22)13(8-21)27-18/h5-7,11,13-16,18,21-24H,1-4,8H2,(H,20,25)
InChIKeyLUTDQKUMAVSNSB-UHFFFAOYSA-N
XLogP0.19
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 50.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-chloro-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoic acid
CID 53251475
(2S,3R,4R,5R,6R)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078468
(2S,3S,4R,5S,6S)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7074542
(4-chlorophenyl)-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
CID 3068335
(2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078194
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
1-(3-chlorophenyl)-3-[2-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propane-1,3-dione
CID 52918131
4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
CID 51694320
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
2-(hydroxymethyl)-6-[4-methyl-3,5-di(propan-2-yl)phenoxy]oxane-3,4,5-triol
CID 23403378
3-chloro-N-cyclobutyl-5-iodobenzamide
CID 139600426
(2S,3S,4R,5R,6S)-2-(2,4-dichlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124897409

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide (CID 44816887) is 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide is O=C(NC1CCCC1)c1cc(Cl)cc(OC2OC(CO)C(O)C(O)C2O)c1.
What is the InChIKey of 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
The InChIKey is LUTDQKUMAVSNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO7/c19-10-5-9(17(25)20-11-3-1-2-4-11)6-12(7-10)26-18-16(24)15(23)14(22)13(8-21)27-18/h5-7,11,13-16,18,21-24H,1-4,8H2,(H,20,25).
What are the key properties of 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide?
3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide has a molecular weight of 401.84 g/mol, XLogP of 0.19, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide is sourced from PubChem (CID 44816887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).