5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide

C15H17ClN2O4 — CID 154568197

IUPAC5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H17ClN2O4/c16-9-1-2-10-8(5-9)6-12(17-10)15(21)18-11-3-4-22-13(7-19)14(11)20/h1-2,5-6,11,13-14,17,19-20H,3-4,7H2,(H,18,21)/t11-,13+,14-/m0/s1
InChIKeyPREUNZODTVPREA-YUTCNCBUSA-N
MW324.76 g/mol
LogP1.06
Rot. Bonds3

About 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide (PubChem CID 154568197) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
PubChem CID154568197
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H17ClN2O4/c16-9-1-2-10-8(5-9)6-12(17-10)15(21)18-11-3-4-22-13(7-19)14(11)20/h1-2,5-6,11,13-14,17,19-20H,3-4,7H2,(H,18,21)/t11-,13+,14-/m0/s1
InChIKeyPREUNZODTVPREA-YUTCNCBUSA-N
XLogP1.06
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67056497
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indole-2-carboxamide
CID 91769182
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-5-oxooxolan-3-yl]carbamic acid
CID 67056443
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865
5-chloro-N-[(1S,2R,4S)-2-methyl-4-(methylsulfonylmethyl)cyclohexyl]-1H-indole-2-carboxamide
CID 58208842
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709
5-chloro-N-[2-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 67188500

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide (CID 154568197) is 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide?
The InChIKey is PREUNZODTVPREA-YUTCNCBUSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c16-9-1-2-10-8(5-9)6-12(17-10)15(21)18-11-3-4-22-13(7-19)14(11)20/h1-2,5-6,11,13-14,17,19-20H,3-4,7H2,(H,18,21)/t11-,13+,14-/m0/s1.
What are the key properties of 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide has a molecular weight of 324.76 g/mol, XLogP of 1.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 154568197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).