3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

C18H19ClN2O4 — CID 126059607

IUPAC3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-11-5-6-12(7-14(11)19)18(22)21-20-10-13-8-16(24-3)17(25-4)9-15(13)23-2/h5-10H,1-4H3,(H,21,22)/b20-10-
InChIKeyMRICPCCTZSGSDU-JMIUGGIZSA-N
MW362.81 g/mol
LogP3.44
Rot. Bonds6

About 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 126059607) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID126059607
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-11-5-6-12(7-14(11)19)18(22)21-20-10-13-8-16(24-3)17(25-4)9-15(13)23-2/h5-10H,1-4H3,(H,21,22)/b20-10-
InChIKeyMRICPCCTZSGSDU-JMIUGGIZSA-N
XLogP3.44
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
3-hydroxy-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6911462
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
3,4-dichloro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126109970
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
3-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058582
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6018421
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 126059607) is 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is MRICPCCTZSGSDU-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-5-6-12(7-14(11)19)18(22)21-20-10-13-8-16(24-3)17(25-4)9-15(13)23-2/h5-10H,1-4H3,(H,21,22)/b20-10-.
What are the key properties of 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 362.81 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126059607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).