N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide

C17H15ClN4O — CID 11631246

IUPACN-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide
SMILESCc1nn(CC(=O)N/N=C\c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C17H15ClN4O/c1-12-15-8-7-14(18)9-16(15)22(21-12)11-17(23)20-19-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23)/b19-10-
InChIKeyAJJQFWXNRZFOOI-GRSHGNNSSA-N
MW326.79 g/mol
LogP3.15
Rot. Bonds4

About N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide

N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide (PubChem CID 11631246) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide
PubChem CID11631246
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide
SMILESCc1nn(CC(=O)N/N=C\c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C17H15ClN4O/c1-12-15-8-7-14(18)9-16(15)22(21-12)11-17(23)20-19-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23)/b19-10-
InChIKeyAJJQFWXNRZFOOI-GRSHGNNSSA-N
XLogP3.15
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(5-methylpyrazol-1-yl)acetamide
CID 840866
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5430332
N-[(2,4-dichlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 937151
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-[(E)-benzylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 6866423
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4116955
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide (CID 11631246) is N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide is Cc1nn(CC(=O)N/N=C\c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide?
The InChIKey is AJJQFWXNRZFOOI-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-15-8-7-14(18)9-16(15)22(21-12)11-17(23)20-19-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23)/b19-10-.
What are the key properties of N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide?
N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide has a molecular weight of 326.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide is sourced from PubChem (CID 11631246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).