2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide

C18H19ClN2O3 — CID 5412053

IUPAC2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide
SMILESCOCc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H19ClN2O3/c1-23-12-15-9-14(5-8-17(15)24-2)11-20-21-18(22)10-13-3-6-16(19)7-4-13/h3-9,11H,10,12H2,1-2H3,(H,21,22)/b20-11-
InChIKeyMDJPHBZXWFFNCX-JAIQZWGSSA-N
MW346.81 g/mol
LogP3.19
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide (PubChem CID 5412053) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide
PubChem CID5412053
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide
SMILESCOCc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OC
InChIInChI=1S/C18H19ClN2O3/c1-23-12-15-9-14(5-8-17(15)24-2)11-20-21-18(22)10-13-3-6-16(19)7-4-13/h3-9,11H,10,12H2,1-2H3,(H,21,22)/b20-11-
InChIKeyMDJPHBZXWFFNCX-JAIQZWGSSA-N
XLogP3.19
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide (CID 5412053) is 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide is COCc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide?
The InChIKey is MDJPHBZXWFFNCX-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-12-15-9-14(5-8-17(15)24-2)11-20-21-18(22)10-13-3-6-16(19)7-4-13/h3-9,11H,10,12H2,1-2H3,(H,21,22)/b20-11-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-[4-methoxy-3-(methoxymethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5412053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).