N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide

C19H14ClN3O6 — CID 126091189

IUPACN-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2O)o1
InChIInChI=1S/C19H14ClN3O6/c1-28-16-7-5-11(20)9-14(16)17-8-6-12(29-17)10-21-22-19(25)13-3-2-4-15(18(13)24)23(26)27/h2-10,24H,1H3,(H,22,25)/b21-10-
InChIKeyQQGBOAMMILJOHK-FBHDLOMBSA-N
MW415.79 g/mol
LogP3.99
Rot. Bonds6

About N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide

N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide (PubChem CID 126091189) has the molecular formula C19H14ClN3O6 and a molecular weight of 415.79 g/mol. Its IUPAC name is N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
PubChem CID126091189
Molecular FormulaC19H14ClN3O6
Molecular Weight415.79 g/mol
Exact Mass415.06
IUPAC NameN-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2O)o1
InChIInChI=1S/C19H14ClN3O6/c1-28-16-7-5-11(20)9-14(16)17-8-6-12(29-17)10-21-22-19(25)13-3-2-4-15(18(13)24)23(26)27/h2-10,24H,1H3,(H,22,25)/b21-10-
InChIKeyQQGBOAMMILJOHK-FBHDLOMBSA-N
XLogP3.99
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126229875
2-[5-[(Z)-[(2-hydroxy-3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126085997
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126092170
N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060930
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
2-methyl-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126171058
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7373569
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 5341086

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide (CID 126091189) is N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide is COc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2O)o1.
What is the InChIKey of N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide?
The InChIKey is QQGBOAMMILJOHK-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H14ClN3O6/c1-28-16-7-5-11(20)9-14(16)17-8-6-12(29-17)10-21-22-19(25)13-3-2-4-15(18(13)24)23(26)27/h2-10,24H,1H3,(H,22,25)/b21-10-.
What are the key properties of N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide?
N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide has a molecular weight of 415.79 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 126091189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).