2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide

C17H14ClN3O3 — CID 3979326

IUPAC2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
SMILESN#CCOc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O3/c18-14-3-7-16(8-4-14)24-12-17(22)21-20-11-13-1-5-15(6-2-13)23-10-9-19/h1-8,11H,10,12H2,(H,21,22)
InChIKeyWLRBROCKMGXYGI-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide (PubChem CID 3979326) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
PubChem CID3979326
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
SMILESN#CCOc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O3/c18-14-3-7-16(8-4-14)24-12-17(22)21-20-11-13-1-5-15(6-2-13)23-10-9-19/h1-8,11H,10,12H2,(H,21,22)
InChIKeyWLRBROCKMGXYGI-UHFFFAOYSA-N
XLogP2.77
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.77
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

N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217503
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
2-(4-chlorophenoxy)-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 126191967
2-(4-chlorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide
CID 4996194
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide (CID 3979326) is 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide is N#CCOc1ccc(C=NNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is WLRBROCKMGXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-14-3-7-16(8-4-14)24-12-17(22)21-20-11-13-1-5-15(6-2-13)23-10-9-19/h1-8,11H,10,12H2,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 3979326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).