2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide

C19H14Cl2N2O3 — CID 5457650

IUPAC2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14Cl2N2O3/c20-14-6-4-13(5-7-14)18-9-8-17(26-18)11-22-23-19(24)12-25-16-3-1-2-15(21)10-16/h1-11H,12H2,(H,23,24)/b22-11-
InChIKeyKISIAKPMQKDYSP-JJFYIABZSA-N
MW389.24 g/mol
LogP4.78
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 5457650) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID5457650
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H14Cl2N2O3/c20-14-6-4-13(5-7-14)18-9-8-17(26-18)11-22-23-19(24)12-25-16-3-1-2-15(21)10-16/h1-11H,12H2,(H,23,24)/b22-11-
InChIKeyKISIAKPMQKDYSP-JJFYIABZSA-N
XLogP4.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.78
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-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 71952295
N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1369815
2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3947681
2-(4-chlorophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 7035809
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5333657
ethyl 4-[5-[(Z)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6287015
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6885310
2-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126170199
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126028192

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide (CID 5457650) is 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is KISIAKPMQKDYSP-JJFYIABZSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c20-14-6-4-13(5-7-14)18-9-8-17(26-18)11-22-23-19(24)12-25-16-3-1-2-15(21)10-16/h1-11H,12H2,(H,23,24)/b22-11-.
What are the key properties of 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 389.24 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 5457650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).