2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide

C16H11ClN4O — CID 56782021

IUPAC2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide
SMILESN#Cc1nn(CC(=O)Nc2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClN4O/c17-11-6-7-15-13(8-11)14(9-18)20-21(15)10-16(22)19-12-4-2-1-3-5-12/h1-8H,10H2,(H,19,22)
InChIKeyVKTDJIPGFAFGFF-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.20
Rot. Bonds3

About 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide

2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide (PubChem CID 56782021) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide
PubChem CID56782021
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide
SMILESN#Cc1nn(CC(=O)Nc2ccccc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClN4O/c17-11-6-7-15-13(8-11)14(9-18)20-21(15)10-16(22)19-12-4-2-1-3-5-12/h1-8H,10H2,(H,19,22)
InChIKeyVKTDJIPGFAFGFF-UHFFFAOYSA-N
XLogP3.20
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877339
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
N-(4-chlorophenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 22583453
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269
2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-phenylacetamide
CID 53331147
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
2-[11-(4-chlorophenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]-N-phenylacetamide
CID 56685333
2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
CID 53020107
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide (CID 56782021) is 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide is N#Cc1nn(CC(=O)Nc2ccccc2)c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide?
The InChIKey is VKTDJIPGFAFGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-11-6-7-15-13(8-11)14(9-18)20-21(15)10-16(22)19-12-4-2-1-3-5-12/h1-8H,10H2,(H,19,22).
What are the key properties of 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide?
2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide has a molecular weight of 310.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 56782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).