N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C20H16ClN3O3 — CID 8882819

IUPACN-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN3O3/c21-16-7-9-17(10-8-16)27-18-5-3-4-15(12-18)13-22-23-19(25)14-24-11-2-1-6-20(24)26/h1-13H,14H2,(H,23,25)/b22-13-
InChIKeyXZYTYJHPACVUNR-XKZIYDEJSA-N
MW381.82 g/mol
LogP3.44
Rot. Bonds6

About N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8882819) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8882819
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H16ClN3O3/c21-16-7-9-17(10-8-16)27-18-5-3-4-15(12-18)13-22-23-19(25)14-24-11-2-1-6-20(24)26/h1-13H,14H2,(H,23,25)/b22-13-
InChIKeyXZYTYJHPACVUNR-XKZIYDEJSA-N
XLogP3.44
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
CID 8883336
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 5395321
2-(2-oxo-1-pyridinyl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 8883298
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8865376
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 6868577
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 6862561
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702532
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929862
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883606

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8882819) is N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N/N=C\c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is XZYTYJHPACVUNR-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-16-7-9-17(10-8-16)27-18-5-3-4-15(12-18)13-22-23-19(25)14-24-11-2-1-6-20(24)26/h1-13H,14H2,(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 381.82 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8882819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).