N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine

C19H14Cl2N2O3 — CID 5137705

IUPACN-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
SMILESCc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14Cl2N2O3/c1-11-8-18(23(24)25)12(2)7-15(11)19-6-4-14(26-19)10-22-13-3-5-16(20)17(21)9-13/h3-10H,1-2H3/b22-10+
InChIKeyFFMGISTZXOUHSC-LSHDLFTRSA-N
MW389.24 g/mol
LogP6.53
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine

N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine (PubChem CID 5137705) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
PubChem CID5137705
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC NameN-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
SMILESCc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14Cl2N2O3/c1-11-8-18(23(24)25)12(2)7-15(11)19-6-4-14(26-19)10-22-13-3-5-16(20)17(21)9-13/h3-10H,1-2H3/b22-10+
InChIKeyFFMGISTZXOUHSC-LSHDLFTRSA-N
XLogP6.53
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.24
LogP ≤ 56.53
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'}

Analyze N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[[5-(5-chloro-4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 56736970
1-[5-(2-bromo-4-methylphenyl)furan-2-yl]-N-(3,4-dichlorophenyl)methanimine
CID 126253258
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
3-N-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine;hydrochloride
CID 73449165
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
2,4,6-trichloro-N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 50885633
4-amino-N-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 2244492
1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol
CID 103145667
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
N-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
CID 3980654
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methanimine
CID 4094834
(5Z)-5-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137089123

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine (CID 5137705) is N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine is Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine?
The InChIKey is FFMGISTZXOUHSC-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c1-11-8-18(23(24)25)12(2)7-15(11)19-6-4-14(26-19)10-22-13-3-5-16(20)17(21)9-13/h3-10H,1-2H3/b22-10+.
What are the key properties of N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine?
N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine has a molecular weight of 389.24 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 5137705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).