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

C21H17ClN2O3 — CID 126206312

IUPACN-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-15-5-8-18(12-21(15)22)23-13-17-3-2-4-20(11-17)27-14-16-6-9-19(10-7-16)24(25)26/h2-13H,14H2,1H3/b23-13+
InChIKeyGLNISRDMPHPVII-YDZHTSKRSA-N
MW380.83 g/mol
LogP5.89
Rot. Bonds6

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

N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine (PubChem CID 126206312) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
PubChem CID126206312
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-15-5-8-18(12-21(15)22)23-13-17-3-2-4-20(11-17)27-14-16-6-9-19(10-7-16)24(25)26/h2-13H,14H2,1H3/b23-13+
InChIKeyGLNISRDMPHPVII-YDZHTSKRSA-N
XLogP5.89
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208356
N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126218322
N-(3-chloro-4-methylphenyl)-1-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine
CID 126207679
N-(3-chloro-2-methylphenyl)-1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126208858
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
N-(3-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126056237

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine (CID 126206312) is N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine is Cc1ccc(/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The InChIKey is GLNISRDMPHPVII-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-15-5-8-18(12-21(15)22)23-13-17-3-2-4-20(11-17)27-14-16-6-9-19(10-7-16)24(25)26/h2-13H,14H2,1H3/b23-13+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine?
N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine has a molecular weight of 380.83 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126206312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).