N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide

C19H14Cl2N2O2 — CID 19060910

IUPACN-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H14Cl2N2O2/c1-12-5-2-3-6-14(12)19(24)23-22-11-13-9-10-17(25-13)15-7-4-8-16(20)18(15)21/h2-11H,1H3,(H,23,24)/b22-11+
InChIKeyKKZOTHWWDWTGGK-SSDVNMTOSA-N
MW373.24 g/mol
LogP5.33
Rot. Bonds4

About N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide

N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide (PubChem CID 19060910) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
PubChem CID19060910
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC NameN-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H14Cl2N2O2/c1-12-5-2-3-6-14(12)19(24)23-22-11-13-9-10-17(25-13)15-7-4-8-16(20)18(15)21/h2-11H,1H3,(H,23,24)/b22-11+
InChIKeyKKZOTHWWDWTGGK-SSDVNMTOSA-N
XLogP5.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9075577
2-methyl-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126171058
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 2246358
ethyl N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 9076133
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 51042923
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 1095081

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide (CID 19060910) is N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide?
The InChIKey is KKZOTHWWDWTGGK-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c1-12-5-2-3-6-14(12)19(24)23-22-11-13-9-10-17(25-13)15-7-4-8-16(20)18(15)21/h2-11H,1H3,(H,23,24)/b22-11+.
What are the key properties of N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide?
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide has a molecular weight of 373.24 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19060910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).