4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide

C15H11Cl2N3O — CID 59292119

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn[nH]c2c1
InChIInChI=1S/C15H11Cl2N3O/c16-11-3-1-2-9(4-11)7-18-15(21)10-5-13(17)12-8-19-20-14(12)6-10/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyNJVIALSSLKZMBL-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide

4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide (PubChem CID 59292119) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
PubChem CID59292119
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn[nH]c2c1
InChIInChI=1S/C15H11Cl2N3O/c16-11-3-1-2-9(4-11)7-18-15(21)10-5-13(17)12-8-19-20-14(12)6-10/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyNJVIALSSLKZMBL-UHFFFAOYSA-N
XLogP3.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
3-chloro-4,5-difluoro-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453536
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
4-chloro-1H-indazole-6-carboxylic acid
CID 24728396
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
CID 54865712
5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 149227651
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
N-[(3-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091822
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide (CID 59292119) is 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(Cl)c2cn[nH]c2c1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide?
The InChIKey is NJVIALSSLKZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c16-11-3-1-2-9(4-11)7-18-15(21)10-5-13(17)12-8-19-20-14(12)6-10/h1-6,8H,7H2,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide?
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide has a molecular weight of 320.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 59292119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).