N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide

C17H17ClN2O2 — CID 8862909

IUPACN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccccc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-6-4-5-7-14(11)17(21)20-19-12(2)15-10-13(18)8-9-16(15)22-3/h4-10H,1-3H3,(H,20,21)/b19-12-
InChIKeySKQBTWLMQLDFIP-UNOMPAQXSA-N
MW316.79 g/mol
LogP3.81
Rot. Bonds4

About N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide (PubChem CID 8862909) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
PubChem CID8862909
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccccc1C
InChIInChI=1S/C17H17ClN2O2/c1-11-6-4-5-7-14(11)17(21)20-19-12(2)15-10-13(18)8-9-16(15)22-3/h4-10H,1-3H3,(H,20,21)/b19-12-
InChIKeySKQBTWLMQLDFIP-UNOMPAQXSA-N
XLogP3.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
CID 75459911
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 8826350
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide (CID 8862909) is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide is COc1ccc(Cl)cc1/C(C)=N\NC(=O)c1ccccc1C.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide?
The InChIKey is SKQBTWLMQLDFIP-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-6-4-5-7-14(11)17(21)20-19-12(2)15-10-13(18)8-9-16(15)22-3/h4-10H,1-3H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide?
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide is sourced from PubChem (CID 8862909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).