N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide

C16H13ClFN3O — CID 18112218

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13ClFN3O/c1-21(9-11-12(17)6-4-7-13(11)18)16(22)15-10-5-2-3-8-14(10)19-20-15/h2-8H,9H2,1H3,(H,19,20)
InChIKeyAHJKTSZMMJHHOQ-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.63
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 18112218) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID18112218
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13ClFN3O/c1-21(9-11-12(17)6-4-7-13(11)18)16(22)15-10-5-2-3-8-14(10)19-20-15/h2-8H,9H2,1H3,(H,19,20)
InChIKeyAHJKTSZMMJHHOQ-UHFFFAOYSA-N
XLogP3.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081607
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18209165
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60628551

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide (CID 18112218) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is AHJKTSZMMJHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c1-21(9-11-12(17)6-4-7-13(11)18)16(22)15-10-5-2-3-8-14(10)19-20-15/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 317.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 18112218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).