N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide

C23H21ClN2O3 — CID 5183598

IUPACN-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
SMILESCC(=NNC(=O)COc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c1-17(25-26-23(27)16-29-20-8-3-2-4-9-20)18-11-13-21(14-12-18)28-15-19-7-5-6-10-22(19)24/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyTVDHELLFATVOCF-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.84
Rot. Bonds8

About N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide

N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide (PubChem CID 5183598) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
PubChem CID5183598
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide
SMILESCC(=NNC(=O)COc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c1-17(25-26-23(27)16-29-20-8-3-2-4-9-20)18-11-13-21(14-12-18)28-15-19-7-5-6-10-22(19)24/h2-14H,15-16H2,1H3,(H,26,27)
InChIKeyTVDHELLFATVOCF-UHFFFAOYSA-N
XLogP4.84
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.84
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-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
2-(4-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide (CID 5183598) is N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide is CC(=NNC(=O)COc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide?
The InChIKey is TVDHELLFATVOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-17(25-26-23(27)16-29-20-8-3-2-4-9-20)18-11-13-21(14-12-18)28-15-19-7-5-6-10-22(19)24/h2-14H,15-16H2,1H3,(H,26,27).
What are the key properties of N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide?
N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide has a molecular weight of 408.89 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-chlorophenyl)methoxy]phenyl]ethylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 5183598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).