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

C15H13ClN2O2 — CID 913510

IUPAC3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1C=NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2/c1-20-14-8-3-2-5-12(14)10-17-18-15(19)11-6-4-7-13(16)9-11/h2-10H,1H3,(H,18,19)
InChIKeyGNIJMSKPMJIJMW-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.11
Rot. Bonds4

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

3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 913510) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
PubChem CID913510
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1C=NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O2/c1-20-14-8-3-2-5-12(14)10-17-18-15(19)11-6-4-7-13(16)9-11/h2-10H,1H3,(H,18,19)
InChIKeyGNIJMSKPMJIJMW-UHFFFAOYSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
3-chloro-N-[[2-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 5226825
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 40571584
[4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 715847
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide (CID 913510) is 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide is COc1ccccc1C=NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is GNIJMSKPMJIJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-14-8-3-2-5-12(14)10-17-18-15(19)11-6-4-7-13(16)9-11/h2-10H,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide?
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 288.73 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 913510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).