N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine

C22H19ClN2O4 — CID 126218322

IUPACN-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H19ClN2O4/c1-15-3-7-18(23)12-20(15)24-13-17-6-10-21(22(11-17)28-2)29-14-16-4-8-19(9-5-16)25(26)27/h3-13H,14H2,1-2H3/b24-13+
InChIKeyOYYXPVUQXIXPGT-ZMOGYAJESA-N
MW410.86 g/mol
LogP5.89
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine

N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine (PubChem CID 126218322) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
PubChem CID126218322
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
SMILESCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H19ClN2O4/c1-15-3-7-18(23)12-20(15)24-13-17-6-10-21(22(11-17)28-2)29-14-16-4-8-19(9-5-16)25(26)27/h3-13H,14H2,1-2H3/b24-13+
InChIKeyOYYXPVUQXIXPGT-ZMOGYAJESA-N
XLogP5.89
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.86
LogP ≤ 55.89
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

(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
1-(2,6-dichlorophenyl)-N-[(E)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19059946
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4,5-trichlorophenyl)methanimine
CID 23738779
4-(4-methoxy-3-methylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanamide
CID 6072098
4-[(5-chloro-2-methylphenyl)iminomethyl]-2-methoxy-6-nitrophenol
CID 137117281
1-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217209
4-[[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126218388
[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 74852654
2-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133145340
[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3303163
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 124541148
N-(5-chloro-2-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126209083

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine (CID 126218322) is N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine is COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The InChIKey is OYYXPVUQXIXPGT-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-15-3-7-18(23)12-20(15)24-13-17-6-10-21(22(11-17)28-2)29-14-16-4-8-19(9-5-16)25(26)27/h3-13H,14H2,1-2H3/b24-13+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine has a molecular weight of 410.86 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126218322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).