N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide

C23H17ClN2O2 — CID 7334026

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H17ClN2O2/c24-18-8-5-9-19(13-18)28-15-23(27)26-25-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14H,15H2,(H,26,27)/b25-14+
InChIKeyHUDQEDOQDQZXJY-AFUMVMLFSA-N
MW388.85 g/mol
LogP5.18
Rot. Bonds5

About N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide

N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide (PubChem CID 7334026) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
PubChem CID7334026
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H17ClN2O2/c24-18-8-5-9-19(13-18)28-15-23(27)26-25-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14H,15H2,(H,26,27)/b25-14+
InChIKeyHUDQEDOQDQZXJY-AFUMVMLFSA-N
XLogP5.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[1-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 3566599
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5334294
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-cyanophenoxy)acetamide
CID 9316542
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
2-(3-chlorophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5401693
2-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190252
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044

Frequently Asked Questions

What is the IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide (CID 7334026) is N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide?
The InChIKey is HUDQEDOQDQZXJY-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-18-8-5-9-19(13-18)28-15-23(27)26-25-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14H,15H2,(H,26,27)/b25-14+.
What are the key properties of N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide?
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide has a molecular weight of 388.85 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 7334026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).