5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide

C18H19ClN2O4 — CID 45109213

IUPAC5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(OC)c(C)c1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-15(23-2)7-5-12(17(11)25-4)10-20-21-18(22)14-9-13(19)6-8-16(14)24-3/h5-10H,1-4H3,(H,21,22)/b20-10+
InChIKeyPTXAGWDZSXJXFW-KEBDBYFISA-N
MW362.81 g/mol
LogP3.44
Rot. Bonds6

About 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide

5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 45109213) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID45109213
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(OC)c(C)c1OC
InChIInChI=1S/C18H19ClN2O4/c1-11-15(23-2)7-5-12(17(11)25-4)10-20-21-18(22)14-9-13(19)6-8-16(14)24-3/h5-10H,1-4H3,(H,21,22)/b20-10+
InChIKeyPTXAGWDZSXJXFW-KEBDBYFISA-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-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
5-chloro-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 4134120
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
5-chloro-N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4109085
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 126090672
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide (CID 45109213) is 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)N/N=C/c1ccc(OC)c(C)c1OC.
What is the InChIKey of 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is PTXAGWDZSXJXFW-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-15(23-2)7-5-12(17(11)25-4)10-20-21-18(22)14-9-13(19)6-8-16(14)24-3/h5-10H,1-4H3,(H,21,22)/b20-10+.
What are the key properties of 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide?
5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide 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 5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 45109213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).