1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine

C24H21ClN2O4 — CID 4527288

IUPAC1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
SMILESCOc1ccc(C(=NOCc2ccc([N+](=O)[O-])cc2)C2CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O4/c1-30-21-12-6-18(7-13-21)24(23-14-22(23)17-4-8-19(25)9-5-17)26-31-15-16-2-10-20(11-3-16)27(28)29/h2-13,22-23H,14-15H2,1H3
InChIKeyPVCQIYANENDXBU-UHFFFAOYSA-N
MW436.90 g/mol
LogP5.98
Rot. Bonds8

About 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine

1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine (PubChem CID 4527288) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
PubChem CID4527288
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
SMILESCOc1ccc(C(=NOCc2ccc([N+](=O)[O-])cc2)C2CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O4/c1-30-21-12-6-18(7-13-21)24(23-14-22(23)17-4-8-19(25)9-5-17)26-31-15-16-2-10-20(11-3-16)27(28)29/h2-13,22-23H,14-15H2,1H3
InChIKeyPVCQIYANENDXBU-UHFFFAOYSA-N
XLogP5.98
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.90
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856977
(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544487
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544488
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856970
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
[(E)-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methylidene]amino] 2,4-difluorobenzoate
CID 40856984
(1R,4R,5S)-2-[(4-methoxyphenyl)methyl]-5-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptan-3-one
CID 102231019
N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine
CID 3565789
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
2-[(4-nitrophenyl)methoxy]guanidine
CID 23036888
(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 40542857
N-[[2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 3787911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
The IUPAC name of 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine (CID 4527288) is 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
The canonical SMILES for 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine is COc1ccc(C(=NOCc2ccc([N+](=O)[O-])cc2)C2CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
The InChIKey is PVCQIYANENDXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-30-21-12-6-18(7-13-21)24(23-14-22(23)17-4-8-19(25)9-5-17)26-31-15-16-2-10-20(11-3-16)27(28)29/h2-13,22-23H,14-15H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine has a molecular weight of 436.90 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine is sourced from PubChem (CID 4527288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).