(13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one

C21H30Cl2N2O2 — CID 24756664

IUPAC(13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one
SMILESO=C1CCCCCCCCCC/C(=N/OCc2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C21H30Cl2N2O2/c22-18-12-11-17(20(23)15-18)16-27-25-19-9-7-5-3-1-2-4-6-8-10-21(26)24-14-13-19/h11-12,15H,1-10,13-14,16H2,(H,24,26)/b25-19-
InChIKeyGPHRGZVVHJUVID-PLRJNAJWSA-N
MW413.39 g/mol
LogP6.29
Rot. Bonds3

About (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one

(13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one (PubChem CID 24756664) has the molecular formula C21H30Cl2N2O2 and a molecular weight of 413.39 g/mol. Its IUPAC name is (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one.

Molecular Properties

Compound Name(13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one
PubChem CID24756664
Molecular FormulaC21H30Cl2N2O2
Molecular Weight413.39 g/mol
Exact Mass412.17
IUPAC Name(13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one
SMILESO=C1CCCCCCCCCC/C(=N/OCc2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C21H30Cl2N2O2/c22-18-12-11-17(20(23)15-18)16-27-25-19-9-7-5-3-1-2-4-6-8-10-21(26)24-14-13-19/h11-12,15H,1-10,13-14,16H2,(H,24,26)/b25-19-
InChIKeyGPHRGZVVHJUVID-PLRJNAJWSA-N
XLogP6.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 56.29
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'}

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Related Compounds

Fenaminstrobin
CID 45380430
N-butyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958467
(13Z)-13-phenylmethoxyimino-azacyclopentadecan-2-one
CID 24756505
(13Z)-13-[(4-chlorophenyl)methoxyimino]-azacyclopentadecan-2-one
CID 24756585
(13Z)-13-[(2-chloro-6-fluorophenyl)methoxyimino]-azacyclopentadecan-2-one
CID 24756588
(13E)-13-[(2-chloro-6-fluorophenyl)methoxyimino]-azacyclopentadecan-2-one
CID 24756589
(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one
CID 24757715
(13E)-13-[(4-chlorophenyl)methoxyimino]-azacyclopentadecan-2-one
CID 24757716
(13E)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one
CID 24757717
(13Z)-13-[(4-chlorophenyl)methoxyimino]-azacyclohexadecan-2-one
CID 76308292
(13Z)-13-[(2-chloro-6-fluorophenyl)methoxyimino]-azacyclohexadecan-2-one
CID 76311944
(13Z)-13-phenylmethoxyimino-azacyclohexadecan-2-one
CID 76311949

Frequently Asked Questions

What is the IUPAC name of (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one?
The IUPAC name of (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one (CID 24756664) is (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one.
What is the SMILES notation for (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one?
The canonical SMILES for (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one is O=C1CCCCCCCCCC/C(=N/OCc2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one?
The InChIKey is GPHRGZVVHJUVID-PLRJNAJWSA-N. The full InChI is InChI=1S/C21H30Cl2N2O2/c22-18-12-11-17(20(23)15-18)16-27-25-19-9-7-5-3-1-2-4-6-8-10-21(26)24-14-13-19/h11-12,15H,1-10,13-14,16H2,(H,24,26)/b25-19-.
What are the key properties of (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one?
(13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one has a molecular weight of 413.39 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-13-[(2,4-dichlorophenyl)methoxyimino]-azacyclopentadecan-2-one is sourced from PubChem (CID 24756664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).