2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide

C15H10ClF2N3O — CID 2742954

IUPAC2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
SMILESCn1nc(NC(=O)c2c(F)cccc2Cl)c2c(F)cccc21
InChIInChI=1S/C15H10ClF2N3O/c1-21-11-7-3-6-10(18)13(11)14(20-21)19-15(22)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,19,20,22)
InChIKeyXPUARGTZZAAOAN-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide

2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide (PubChem CID 2742954) has the molecular formula C15H10ClF2N3O and a molecular weight of 321.71 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
PubChem CID2742954
Molecular FormulaC15H10ClF2N3O
Molecular Weight321.71 g/mol
Exact Mass321.05
IUPAC Name2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
SMILESCn1nc(NC(=O)c2c(F)cccc2Cl)c2c(F)cccc21
InChIInChI=1S/C15H10ClF2N3O/c1-21-11-7-3-6-10(18)13(11)14(20-21)19-15(22)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,19,20,22)
InChIKeyXPUARGTZZAAOAN-UHFFFAOYSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-1-methylindazol-3-yl)-4-methylthiadiazole-5-carboxamide
CID 2742953
2-chloro-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 51228899
N-(4-chloro-1-methylindazol-3-yl)-2-(methylamino)acetamide
CID 123892807
cis-(1R,2S)-2-[(4-fluoro-1-methylindazol-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 6926869
2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
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2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
CID 16841348
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
2-chloro-6-fluoro-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzamide
CID 110735250
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide (CID 2742954) is 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide is Cn1nc(NC(=O)c2c(F)cccc2Cl)c2c(F)cccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide?
The InChIKey is XPUARGTZZAAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O/c1-21-11-7-3-6-10(18)13(11)14(20-21)19-15(22)12-8(16)4-2-5-9(12)17/h2-7H,1H3,(H,19,20,22).
What are the key properties of 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide?
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide has a molecular weight of 321.71 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide is sourced from PubChem (CID 2742954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).