N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide

C14H11ClN4O — CID 155544372

IUPACN-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide
SMILESNc1n[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C14H11ClN4O/c15-9-3-1-2-8(6-9)14(20)17-10-4-5-12-11(7-10)13(16)19-18-12/h1-7H,(H,17,20)(H3,16,18,19)
InChIKeyLDQKQYQUOADFMB-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.05
Rot. Bonds2

About N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide

N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide (PubChem CID 155544372) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide
PubChem CID155544372
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide
SMILESNc1n[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc12
InChIInChI=1S/C14H11ClN4O/c15-9-3-1-2-8(6-9)14(20)17-10-4-5-12-11(7-10)13(16)19-18-12/h1-7H,(H,17,20)(H3,16,18,19)
InChIKeyLDQKQYQUOADFMB-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide?
The IUPAC name of N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide (CID 155544372) is N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide?
The canonical SMILES for N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide is Nc1n[nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc12.
What is the InChIKey of N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide?
The InChIKey is LDQKQYQUOADFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-9-3-1-2-8(6-9)14(20)17-10-4-5-12-11(7-10)13(16)19-18-12/h1-7H,(H,17,20)(H3,16,18,19).
What are the key properties of N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide?
N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide 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 N-(3-amino-1H-indazol-5-yl)-3-chlorobenzamide is sourced from PubChem (CID 155544372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).