[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate

C16H15ClN2O4 — CID 5400870

IUPAC[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESCOc1ccc(OC)c(/C=N\OC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O4/c1-21-14-7-8-15(22-2)11(9-14)10-18-23-16(20)19-13-5-3-12(17)4-6-13/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeyVWDPEPZHZKKLFZ-ZDLGFXPLSA-N
MW334.76 g/mol
LogP3.94
Rot. Bonds5

About [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate

[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate (PubChem CID 5400870) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
PubChem CID5400870
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
SMILESCOc1ccc(OC)c(/C=N\OC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O4/c1-21-14-7-8-15(22-2)11(9-14)10-18-23-16(20)19-13-5-3-12(17)4-6-13/h3-10H,1-2H3,(H,19,20)/b18-10-
InChIKeyVWDPEPZHZKKLFZ-ZDLGFXPLSA-N
XLogP3.94
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
2,4-dichloro-N-[(2,5-dimethoxyphenyl)methylideneamino]benzamide
CID 3623191
N-(3-chloro-4-methoxyphenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355379
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-(3,4-dichlorophenyl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355357
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 9355358
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
2-chloro-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 7373594

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate (CID 5400870) is [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate is COc1ccc(OC)c(/C=N\OC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
The InChIKey is VWDPEPZHZKKLFZ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-21-14-7-8-15(22-2)11(9-14)10-18-23-16(20)19-13-5-3-12(17)4-6-13/h3-10H,1-2H3,(H,19,20)/b18-10-.
What are the key properties of [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate?
[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate has a molecular weight of 334.76 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 5400870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).