3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide

C22H17Cl2N3O3 — CID 87952683

IUPAC3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
SMILESCO/N=C1\CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21
InChIInChI=1S/C22H17Cl2N3O3/c1-29-27-19-9-7-16-15(19)3-2-4-20(16)30-21-10-6-14(12-25-21)26-22(28)13-5-8-17(23)18(24)11-13/h2-6,8,10-12H,7,9H2,1H3,(H,26,28)/b27-19+
InChIKeyLTEKFACBMSIWHB-ZXVVBBHZSA-N
MW442.30 g/mol
LogP5.73
Rot. Bonds5

About 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide

3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide (PubChem CID 87952683) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
PubChem CID87952683
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC Name3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
SMILESCO/N=C1\CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21
InChIInChI=1S/C22H17Cl2N3O3/c1-29-27-19-9-7-16-15(19)3-2-4-20(16)30-21-10-6-14(12-25-21)26-22(28)13-5-8-17(23)18(24)11-13/h2-6,8,10-12H,7,9H2,1H3,(H,26,28)/b27-19+
InChIKeyLTEKFACBMSIWHB-ZXVVBBHZSA-N
XLogP5.73
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 55.73
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

3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
CID 18673893
1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
CID 18673943
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]-3-ethoxyphenyl]methyl]butanoic acid
CID 141132288
4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide
CID 91556958
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide (CID 87952683) is 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide is CO/N=C1\CCc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cccc21.
What is the InChIKey of 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide?
The InChIKey is LTEKFACBMSIWHB-ZXVVBBHZSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c1-29-27-19-9-7-16-15(19)3-2-4-20(16)30-21-10-6-14(12-25-21)26-22(28)13-5-8-17(23)18(24)11-13/h2-6,8,10-12H,7,9H2,1H3,(H,26,28)/b27-19+.
What are the key properties of 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide?
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide has a molecular weight of 442.30 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 87952683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).