2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide

C15H12ClN3O — CID 43698093

IUPAC2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(Cl)c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-14(10-4-2-1-3-5-10)15(20)18-12-6-7-13-11(8-12)9-17-19-13/h1-9,14H,(H,17,19)(H,18,20)
InChIKeyPDCRRDKFWJCIAM-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide

2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide (PubChem CID 43698093) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
PubChem CID43698093
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(Cl)c1ccccc1
InChIInChI=1S/C15H12ClN3O/c16-14(10-4-2-1-3-5-10)15(20)18-12-6-7-13-11(8-12)9-17-19-13/h1-9,14H,(H,17,19)(H,18,20)
InChIKeyPDCRRDKFWJCIAM-UHFFFAOYSA-N
XLogP3.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.48
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

2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
5-(sulfinoamino)-1H-indazole
CID 68877895
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
2-fluoro-N-(1H-indazol-5-yl)benzamide
CID 5078247
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
N-(1H-indazol-6-yl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110673734

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide (CID 43698093) is 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide is O=C(Nc1ccc2[nH]ncc2c1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide?
The InChIKey is PDCRRDKFWJCIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-14(10-4-2-1-3-5-10)15(20)18-12-6-7-13-11(8-12)9-17-19-13/h1-9,14H,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide?
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide has a molecular weight of 285.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 43698093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).