5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide

C15H16ClN3O3 — CID 11255709

IUPAC5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCOCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H16ClN3O3/c16-11-1-2-12-10(7-11)8-13(17-12)15(21)19-18-14(20)9-3-5-22-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,20)(H,19,21)
InChIKeyGYQFJBJUMYNQOA-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.01
Rot. Bonds2

About 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide

5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide (PubChem CID 11255709) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
PubChem CID11255709
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCOCC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H16ClN3O3/c16-11-1-2-12-10(7-11)8-13(17-12)15(21)19-18-14(20)9-3-5-22-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,20)(H,19,21)
InChIKeyGYQFJBJUMYNQOA-UHFFFAOYSA-N
XLogP2.01
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide
CID 59830433
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
5-chloro-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113207247
5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
CID 58822060
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
CID 55977270
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide (CID 11255709) is 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide is O=C(NNC(=O)C1CCOCC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide?
The InChIKey is GYQFJBJUMYNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-11-1-2-12-10(7-11)8-13(17-12)15(21)19-18-14(20)9-3-5-22-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide?
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide has a molecular weight of 321.76 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 11255709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).