2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

C17H17ClN2O4 — CID 6871464

IUPAC2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-22-14-9-16(24-3)15(23-2)8-11(14)10-19-20-17(21)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,21)/b19-10+
InChIKeyITIUNGGTRYIITI-VXLYETTFSA-N
MW348.79 g/mol
LogP3.13
Rot. Bonds6

About 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6871464) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID6871464
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4/c1-22-14-9-16(24-3)15(23-2)8-11(14)10-19-20-17(21)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,21)/b19-10+
InChIKeyITIUNGGTRYIITI-VXLYETTFSA-N
XLogP3.13
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.13
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-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 54784673
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[4-[[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-chlorobenzamide
CID 171134368
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110509287
3,4-dimethoxy-N-[2-[[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 6886720
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 6871464) is 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is ITIUNGGTRYIITI-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-14-9-16(24-3)15(23-2)8-11(14)10-19-20-17(21)12-6-4-5-7-13(12)18/h4-10H,1-3H3,(H,20,21)/b19-10+.
What are the key properties of 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 348.79 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6871464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).