2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide

C22H18ClN3O3 — CID 46496325

IUPAC2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H18ClN3O3/c1-29-18-11-9-15(10-12-18)14-24-26-21(27)16-5-4-6-17(13-16)25-22(28)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14+
InChIKeyMAFZLNDTQYSOEC-ZVHZXABRSA-N
MW407.86 g/mol
LogP4.36
Rot. Bonds6

About 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide

2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 46496325) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID46496325
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H18ClN3O3/c1-29-18-11-9-15(10-12-18)14-24-26-21(27)16-5-4-6-17(13-16)25-22(28)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14+
InChIKeyMAFZLNDTQYSOEC-ZVHZXABRSA-N
XLogP4.36
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.36
H-Bond Donors ≤ 52
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'}

Analyze 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (CID 46496325) is 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is MAFZLNDTQYSOEC-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-29-18-11-9-15(10-12-18)14-24-26-21(27)16-5-4-6-17(13-16)25-22(28)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14+.
What are the key properties of 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide has a molecular weight of 407.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 46496325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).