1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine

C23H16Cl3F2NO — CID 3802403

IUPAC1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C(=NOCc2ccc(Cl)cc2Cl)C2CC2c2c(F)cccc2Cl)cc1
InChIInChI=1S/C23H16Cl3F2NO/c24-15-7-4-14(20(26)10-15)12-30-29-23(13-5-8-16(27)9-6-13)18-11-17(18)22-19(25)2-1-3-21(22)28/h1-10,17-18H,11-12H2
InChIKeyHKOIZFBHWVZPPJ-UHFFFAOYSA-N
MW466.74 g/mol
LogP7.65
Rot. Bonds6

About 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine (PubChem CID 3802403) has the molecular formula C23H16Cl3F2NO and a molecular weight of 466.74 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
PubChem CID3802403
Molecular FormulaC23H16Cl3F2NO
Molecular Weight466.74 g/mol
Exact Mass465.03
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(C(=NOCc2ccc(Cl)cc2Cl)C2CC2c2c(F)cccc2Cl)cc1
InChIInChI=1S/C23H16Cl3F2NO/c24-15-7-4-14(20(26)10-15)12-30-29-23(13-5-8-16(27)9-6-13)18-11-17(18)22-19(25)2-1-3-21(22)28/h1-10,17-18H,11-12H2
InChIKeyHKOIZFBHWVZPPJ-UHFFFAOYSA-N
XLogP7.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856970
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 7094409
[(3S,4R)-4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 51416244
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
3-(2,4-dichlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 68742879
N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
CID 3838866
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
(NE)-N-[(4-bromophenyl)-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methylidene]hydroxylamine
CID 40782577
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine (CID 3802403) is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine is Fc1ccc(C(=NOCc2ccc(Cl)cc2Cl)C2CC2c2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
The InChIKey is HKOIZFBHWVZPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3F2NO/c24-15-7-4-14(20(26)10-15)12-30-29-23(13-5-8-16(27)9-6-13)18-11-17(18)22-19(25)2-1-3-21(22)28/h1-10,17-18H,11-12H2.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine?
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine has a molecular weight of 466.74 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 3802403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).