(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one

C22H18BrCl2NO3 — CID 42550417

IUPAC(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one
SMILESCOc1ccc2cc(C(=O)[C@H](C)/C=N\OCc3ccc(Cl)cc3Cl)ccc2c1Br
InChIInChI=1S/C22H18BrCl2NO3/c1-13(11-26-29-12-16-3-6-17(24)10-19(16)25)22(27)15-4-7-18-14(9-15)5-8-20(28-2)21(18)23/h3-11,13H,12H2,1-2H3/b26-11-/t13-/m1/s1
InChIKeyIMZCQQOLZCPSHC-HIWDBDMKSA-N
MW495.20 g/mol
LogP6.94
Rot. Bonds7

About (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one

(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one (PubChem CID 42550417) has the molecular formula C22H18BrCl2NO3 and a molecular weight of 495.20 g/mol. Its IUPAC name is (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one
PubChem CID42550417
Molecular FormulaC22H18BrCl2NO3
Molecular Weight495.20 g/mol
Exact Mass492.98
IUPAC Name(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one
SMILESCOc1ccc2cc(C(=O)[C@H](C)/C=N\OCc3ccc(Cl)cc3Cl)ccc2c1Br
InChIInChI=1S/C22H18BrCl2NO3/c1-13(11-26-29-12-16-3-6-17(24)10-19(16)25)22(27)15-4-7-18-14(9-15)5-8-20(28-2)21(18)23/h3-11,13H,12H2,1-2H3/b26-11-/t13-/m1/s1
InChIKeyIMZCQQOLZCPSHC-HIWDBDMKSA-N
XLogP6.94
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.20
LogP ≤ 56.94
H-Bond Donors ≤ 50
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'}

Analyze (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
CID 40512717
1-(5-bromo-6-methoxynaphthalen-2-yl)-3,3-dimethylbutan-1-one
CID 102444270
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
CID 4729784
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512625
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
(4-bromophenyl)methyl 4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoate
CID 4031936
N-[(E)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126328663
4-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]benzamide
CID 126374011
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972
2-(5-bromo-6-methoxynaphthalen-2-yl)propanamide
CID 19821063
3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20993958
(2,4-dichlorophenyl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7845904

Frequently Asked Questions

What is the IUPAC name of (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one?
The IUPAC name of (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one (CID 42550417) is (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one.
What is the SMILES notation for (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one?
The canonical SMILES for (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one is COc1ccc2cc(C(=O)[C@H](C)/C=N\OCc3ccc(Cl)cc3Cl)ccc2c1Br.
What is the InChIKey of (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one?
The InChIKey is IMZCQQOLZCPSHC-HIWDBDMKSA-N. The full InChI is InChI=1S/C22H18BrCl2NO3/c1-13(11-26-29-12-16-3-6-17(24)10-19(16)25)22(27)15-4-7-18-14(9-15)5-8-20(28-2)21(18)23/h3-11,13H,12H2,1-2H3/b26-11-/t13-/m1/s1.
What are the key properties of (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one?
(2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one has a molecular weight of 495.20 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3Z)-1-(5-bromo-6-methoxynaphthalen-2-yl)-3-[(2,4-dichlorophenyl)methoxyimino]-2-methylpropan-1-one is sourced from PubChem (CID 42550417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).