N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide

C16H14ClN3O — CID 71822183

IUPACN-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-14-9-5-3-7-12(14)15(19-20)16(21)18-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyDNYMSQYKVDVCBD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide (PubChem CID 71822183) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
PubChem CID71822183
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H14ClN3O/c1-20-14-9-5-3-7-12(14)15(19-20)16(21)18-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3,(H,18,21)
InChIKeyDNYMSQYKVDVCBD-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943815
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide (CID 71822183) is N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2Cl)c2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide?
The InChIKey is DNYMSQYKVDVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-14-9-5-3-7-12(14)15(19-20)16(21)18-10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 71822183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).