(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one

C23H17Cl3FNO3 — CID 6111445

IUPAC(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
SMILESO=C(C/C=N\OCc1ccc(Cl)cc1Cl)c1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C23H17Cl3FNO3/c24-17-8-7-16(21(26)12-17)13-31-28-10-9-23(29)15-3-1-4-18(11-15)30-14-19-20(25)5-2-6-22(19)27/h1-8,10-12H,9,13-14H2/b28-10-
InChIKeyPEUQQRFCERCIAE-LGUSAWBASA-N
MW480.75 g/mol
LogP7.14
Rot. Bonds9

About (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one

(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one (PubChem CID 6111445) has the molecular formula C23H17Cl3FNO3 and a molecular weight of 480.75 g/mol. Its IUPAC name is (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one.

Molecular Properties

Compound Name(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
PubChem CID6111445
Molecular FormulaC23H17Cl3FNO3
Molecular Weight480.75 g/mol
Exact Mass479.03
IUPAC Name(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
SMILESO=C(C/C=N\OCc1ccc(Cl)cc1Cl)c1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C23H17Cl3FNO3/c24-17-8-7-16(21(26)12-17)13-31-28-10-9-23(29)15-3-1-4-18(11-15)30-14-19-20(25)5-2-6-22(19)27/h1-8,10-12H,9,13-14H2/b28-10-
InChIKeyPEUQQRFCERCIAE-LGUSAWBASA-N
XLogP7.14
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 57.14
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 (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one with MolForge

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Related Compounds

3-[(4-chlorophenyl)methoxyimino]-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one
CID 3739562
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-hydroxyprop-2-en-1-one
CID 1477571
3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176414
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
CID 20850503
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
1-[3-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioyl]piperidine-4-carboxamide
CID 126202313
3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 3839469
4-[3-[(2,6-difluorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 510635
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one?
The IUPAC name of (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one (CID 6111445) is (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one.
What is the SMILES notation for (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one?
The canonical SMILES for (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one is O=C(C/C=N\OCc1ccc(Cl)cc1Cl)c1cccc(OCc2c(F)cccc2Cl)c1.
What is the InChIKey of (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one?
The InChIKey is PEUQQRFCERCIAE-LGUSAWBASA-N. The full InChI is InChI=1S/C23H17Cl3FNO3/c24-17-8-7-16(21(26)12-17)13-31-28-10-9-23(29)15-3-1-4-18(11-15)30-14-19-20(25)5-2-6-22(19)27/h1-8,10-12H,9,13-14H2/b28-10-.
What are the key properties of (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one?
(3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one has a molecular weight of 480.75 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one is sourced from PubChem (CID 6111445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).