3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide

C14H9ClIN3O — CID 103221440

IUPAC3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H9ClIN3O/c15-11-6-8(1-3-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
InChIKeyPVHPEEFHFKKPBY-UHFFFAOYSA-N
MW397.60 g/mol
LogP4.07
Rot. Bonds2

About 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide

3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide (PubChem CID 103221440) has the molecular formula C14H9ClIN3O and a molecular weight of 397.60 g/mol. Its IUPAC name is 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
PubChem CID103221440
Molecular FormulaC14H9ClIN3O
Molecular Weight397.60 g/mol
Exact Mass396.95
IUPAC Name3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H9ClIN3O/c15-11-6-8(1-3-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20)
InChIKeyPVHPEEFHFKKPBY-UHFFFAOYSA-N
XLogP4.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
N-(1H-indazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704644
3-chloro-N-(1H-indazol-5-yl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673395
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
N-(1H-indazol-5-yl)-3-nitrobenzamide
CID 17163936
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide (CID 103221440) is 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide is O=C(Nc1ccc2[nH]ncc2c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide?
The InChIKey is PVHPEEFHFKKPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClIN3O/c15-11-6-8(1-3-12(11)16)14(20)18-10-2-4-13-9(5-10)7-17-19-13/h1-7H,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide?
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide has a molecular weight of 397.60 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide is sourced from PubChem (CID 103221440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).