2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide

C14H11ClN4O — CID 61117079

IUPAC2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C14H11ClN4O/c15-8-4-5-11(16)9(6-8)14(20)18-12-2-1-3-13-10(12)7-17-19-13/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyFSIJJDIZNMOJHF-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.05
Rot. Bonds2

About 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide

2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide (PubChem CID 61117079) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
PubChem CID61117079
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide
SMILESNc1ccc(Cl)cc1C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C14H11ClN4O/c15-8-4-5-11(16)9(6-8)14(20)18-12-2-1-3-13-10(12)7-17-19-13/h1-7H,16H2,(H,17,19)(H,18,20)
InChIKeyFSIJJDIZNMOJHF-UHFFFAOYSA-N
XLogP3.05
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
CID 79758086
2-bromo-4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 60933063
2-amino-5-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43574314
N-(4-amino-2-fluorophenyl)-1H-indazole-4-carboxamide
CID 172894549
N-(1H-indazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103772000
4-amino-N-(1H-indazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075734
3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
CID 130664762
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
CID 102851224
N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
CID 114030278
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide (CID 61117079) is 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide is Nc1ccc(Cl)cc1C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide?
The InChIKey is FSIJJDIZNMOJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-8-4-5-11(16)9(6-8)14(20)18-12-2-1-3-13-10(12)7-17-19-13/h1-7H,16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide?
2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide has a molecular weight of 286.72 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(1H-indazol-4-yl)benzamide is sourced from PubChem (CID 61117079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).