4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

C16H15ClN2O3 — CID 5425927

IUPAC4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H15ClN2O3/c1-21-14-5-3-4-12(15(14)22-2)10-18-19-16(20)11-6-8-13(17)9-7-11/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeySJNXVHPBPPXNKG-ZDLGFXPLSA-N
MW318.76 g/mol
LogP3.12
Rot. Bonds5

About 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 5425927) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID5425927
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OC
InChIInChI=1S/C16H15ClN2O3/c1-21-14-5-3-4-12(15(14)22-2)10-18-19-16(20)11-6-8-13(17)9-7-11/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeySJNXVHPBPPXNKG-ZDLGFXPLSA-N
XLogP3.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 4519390
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 3750438
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (CID 5425927) is 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OC.
What is the InChIKey of 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SJNXVHPBPPXNKG-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-21-14-5-3-4-12(15(14)22-2)10-18-19-16(20)11-6-8-13(17)9-7-11/h3-10H,1-2H3,(H,19,20)/b18-10-.
What are the key properties of 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 318.76 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5425927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).