4-chloro-N-(1H-indazol-4-yl)butanamide

C11H12ClN3O — CID 63307555

IUPAC4-chloro-N-(1H-indazol-4-yl)butanamide
SMILESO=C(CCCCl)Nc1cccc2[nH]ncc12
InChIInChI=1S/C11H12ClN3O/c12-6-2-5-11(16)14-9-3-1-4-10-8(9)7-13-15-10/h1,3-4,7H,2,5-6H2,(H,13,15)(H,14,16)
InChIKeyLUWHXCSZIHXHFA-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.52
Rot. Bonds4

About 4-chloro-N-(1H-indazol-4-yl)butanamide

4-chloro-N-(1H-indazol-4-yl)butanamide (PubChem CID 63307555) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-N-(1H-indazol-4-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indazol-4-yl)butanamide
PubChem CID63307555
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-N-(1H-indazol-4-yl)butanamide
SMILESO=C(CCCCl)Nc1cccc2[nH]ncc12
InChIInChI=1S/C11H12ClN3O/c12-6-2-5-11(16)14-9-3-1-4-10-8(9)7-13-15-10/h1,3-4,7H,2,5-6H2,(H,13,15)(H,14,16)
InChIKeyLUWHXCSZIHXHFA-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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(E)-N-(1H-indazol-4-yl)but-2-enamide
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1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
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3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
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CID 102851224

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indazol-4-yl)butanamide?
The IUPAC name of 4-chloro-N-(1H-indazol-4-yl)butanamide (CID 63307555) is 4-chloro-N-(1H-indazol-4-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(1H-indazol-4-yl)butanamide?
The canonical SMILES for 4-chloro-N-(1H-indazol-4-yl)butanamide is O=C(CCCCl)Nc1cccc2[nH]ncc12.
What is the InChIKey of 4-chloro-N-(1H-indazol-4-yl)butanamide?
The InChIKey is LUWHXCSZIHXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-6-2-5-11(16)14-9-3-1-4-10-8(9)7-13-15-10/h1,3-4,7H,2,5-6H2,(H,13,15)(H,14,16).
What are the key properties of 4-chloro-N-(1H-indazol-4-yl)butanamide?
4-chloro-N-(1H-indazol-4-yl)butanamide has a molecular weight of 237.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indazol-4-yl)butanamide is sourced from PubChem (CID 63307555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).