2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide

C22H20ClN3O3 — CID 110341609

IUPAC2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O3/c1-28-20-11-8-16(12-21(20)29-14-15-6-9-17(23)10-7-15)13-25-26-22(27)18-4-2-3-5-19(18)24/h2-13H,14,24H2,1H3,(H,26,27)/b25-13+
InChIKeyJMGWPGJGHGGECT-DHRITJCHSA-N
MW409.87 g/mol
LogP4.27
Rot. Bonds7

About 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide

2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide (PubChem CID 110341609) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide
PubChem CID110341609
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O3/c1-28-20-11-8-16(12-21(20)29-14-15-6-9-17(23)10-7-15)13-25-26-22(27)18-4-2-3-5-19(18)24/h2-13H,14,24H2,1H3,(H,26,27)/b25-13+
InChIKeyJMGWPGJGHGGECT-DHRITJCHSA-N
XLogP4.27
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
2-amino-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340971
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
2-amino-N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512033
2-amino-N-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110339039
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]thiourea
CID 900230
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3856625
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide (CID 110341609) is 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide?
The InChIKey is JMGWPGJGHGGECT-DHRITJCHSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-28-20-11-8-16(12-21(20)29-14-15-6-9-17(23)10-7-15)13-25-26-22(27)18-4-2-3-5-19(18)24/h2-13H,14,24H2,1H3,(H,26,27)/b25-13+.
What are the key properties of 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide?
2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide has a molecular weight of 409.87 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 110341609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).