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

C22H18ClN3O3 — CID 46496279

IUPAC2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H18ClN3O3/c1-29-20-12-5-2-7-16(20)14-24-26-21(27)15-8-6-9-17(13-15)25-22(28)18-10-3-4-11-19(18)23/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14+
InChIKeyDVHHQISQYSMZSV-ZVHZXABRSA-N
MW407.86 g/mol
LogP4.36
Rot. Bonds6

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

2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (PubChem CID 46496279) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
PubChem CID46496279
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
SMILESCOc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H18ClN3O3/c1-29-20-12-5-2-7-16(20)14-24-26-21(27)15-8-6-9-17(13-15)25-22(28)18-10-3-4-11-19(18)23/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14+
InChIKeyDVHHQISQYSMZSV-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)-(2-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

Related Compounds

2-Chloro-N-(3-{N'-[(E)-(furan-2-YL)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496207
4-Chloro-benzoic acid 2-[(4-acetylamino-benzoyl)-hydrazonomethyl]-phenyl ester
CID 6871629
2,4-Dichloro-benzoic acid 2-{[4-(2,2-dimethyl-propionylamino)-benzoyl]-hydrazonomethyl}-phenyl ester
CID 6871635
4-chloro-N-(3-{[2-(2,4-dimethoxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
CID 9558325
N-[4-({2-[2-(benzyloxy)benzylidene]hydrazino}carbonyl)phenyl]acetamide
CID 9675037
3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
CID 22330717
N-(3-{N'-[(E)-(2H-1,3-Benzodioxol-5-YL)methylidene]hydrazinecarbonyl}phenyl)-2-chlorobenzamide
CID 46496305
2-Chloro-N-(3-{N'-[(E)-(3,4-dimethoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496308
2-Chloro-N-(3-{N'-[(E)-(2,4-dimethoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496316
2-Chloro-N-(3-{N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 46496325
N-(3-{N'-[(E)-(2,4-Dimethoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-4-methoxybenzamide
CID 9598065
2-chloro-N-(4-{[(2E)-2-(2-furylmethylene)hydrazino]carbonyl}phenyl)benzamide
CID 46496332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide (CID 46496279) is 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is COc1ccccc1/C=N/NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
The InChIKey is DVHHQISQYSMZSV-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-29-20-12-5-2-7-16(20)14-24-26-21(27)15-8-6-9-17(13-15)25-22(28)18-10-3-4-11-19(18)23/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14+.
What are the key properties of 2-chloro-N-[3-[[(E)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide?
2-chloro-N-[3-[[(E)-(2-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)-(2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 46496279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).