5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide

C16H12Cl3N3O2 — CID 58796838

IUPAC5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NO)c3cc(Cl)cc(Cl)c32)c(Cl)c1
InChIInChI=1S/C16H12Cl3N3O2/c1-8-2-3-9(12(18)4-8)7-22-15-11(5-10(17)6-13(15)19)14(20-22)16(23)21-24/h2-6,24H,7H2,1H3,(H,21,23)
InChIKeyVKWPEKKUJGDUBU-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.47
Rot. Bonds3

About 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide

5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide (PubChem CID 58796838) has the molecular formula C16H12Cl3N3O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide
PubChem CID58796838
Molecular FormulaC16H12Cl3N3O2
Molecular Weight384.65 g/mol
Exact Mass383.00
IUPAC Name5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)NO)c3cc(Cl)cc(Cl)c32)c(Cl)c1
InChIInChI=1S/C16H12Cl3N3O2/c1-8-2-3-9(12(18)4-8)7-22-15-11(5-10(17)6-13(15)19)14(20-22)16(23)21-24/h2-6,24H,7H2,1H3,(H,21,23)
InChIKeyVKWPEKKUJGDUBU-UHFFFAOYSA-N
XLogP4.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide
CID 68913507
methyl (Z)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 58182915
methyl 1-[(2-chloro-4-methylphenyl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 106869336
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
ethyl 1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 91872719
1-[(2,4-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 11638366
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
CID 11704695
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide?
The IUPAC name of 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide (CID 58796838) is 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide.
What is the SMILES notation for 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide?
The canonical SMILES for 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)NO)c3cc(Cl)cc(Cl)c32)c(Cl)c1.
What is the InChIKey of 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide?
The InChIKey is VKWPEKKUJGDUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O2/c1-8-2-3-9(12(18)4-8)7-22-15-11(5-10(17)6-13(15)19)14(20-22)16(23)21-24/h2-6,24H,7H2,1H3,(H,21,23).
What are the key properties of 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide?
5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide has a molecular weight of 384.65 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide is sourced from PubChem (CID 58796838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).