6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide

C18H12ClN3O2 — CID 68856310

IUPAC6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)n1[nH]c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C18H12ClN3O2/c19-13-6-8-15-16(10-13)22(21-17(15)23)18(24)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,24)(H,21,23)
InChIKeyYJLYKRYWHIFVSR-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.22
Rot. Bonds1

About 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide

6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide (PubChem CID 68856310) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide
PubChem CID68856310
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)n1[nH]c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C18H12ClN3O2/c19-13-6-8-15-16(10-13)22(21-17(15)23)18(24)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,24)(H,21,23)
InChIKeyYJLYKRYWHIFVSR-UHFFFAOYSA-N
XLogP4.22
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91242276
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CID 896015
2,3,5,6-tetrafluoro-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-dicarboxamide
CID 5018859
N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
CID 4178084
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
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N-naphthalen-2-ylcarbamoyl bromide
CID 115193346
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
N-naphthalen-2-yl-6-oxo-1H-pyridine-2-carboxamide
CID 107261405
2-(3,4-dichlorophenyl)-N-naphthalen-2-ylacetamide
CID 7900527
2-chloronaphthalene;naphthalene
CID 159169098
(E)-3-(4-chlorophenyl)-N-(naphthalen-2-ylcarbamothioyl)prop-2-enamide
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CID 7723467

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide?
The IUPAC name of 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide (CID 68856310) is 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide.
What is the SMILES notation for 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide?
The canonical SMILES for 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide is O=C(Nc1ccc2ccccc2c1)n1[nH]c(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide?
The InChIKey is YJLYKRYWHIFVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-13-6-8-15-16(10-13)22(21-17(15)23)18(24)20-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,20,24)(H,21,23).
What are the key properties of 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide?
6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide has a molecular weight of 337.77 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-naphthalen-2-yl-3-oxo-2H-indazole-1-carboxamide is sourced from PubChem (CID 68856310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).