N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide

C16H15ClN2O3 — CID 900213

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C16H15ClN2O3/c1-21-14-9-11(8-13(17)15(14)22-2)10-18-19-16(20)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20)
InChIKeyCXPCHIWCCOFYRI-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.12
Rot. Bonds5

About N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide

N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 900213) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID900213
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C16H15ClN2O3/c1-21-14-9-11(8-13(17)15(14)22-2)10-18-19-16(20)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20)
InChIKeyCXPCHIWCCOFYRI-UHFFFAOYSA-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

2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136661481
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
4-chloro-N-[(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 4512927
N-[(Z)-benzylideneamino]-3,5-dichloro-4-methoxybenzamide
CID 6445159
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507236
2-[2-chloro-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 126201965
N-[(E)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 6133035
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110507170
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide (CID 900213) is N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccccc2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is CXPCHIWCCOFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-21-14-9-11(8-13(17)15(14)22-2)10-18-19-16(20)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide?
N-[(3-chloro-4,5-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 N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 900213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).