N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C18H12ClN3O4 — CID 7368852

IUPACN-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H12ClN3O4/c19-16-10-13(22(24)25)6-8-15(16)17-9-7-14(26-17)11-20-21-18(23)12-4-2-1-3-5-12/h1-11H,(H,21,23)/b20-11-
InChIKeyWUBAKOANDFKQBP-JAIQZWGSSA-N
MW369.76 g/mol
LogP4.27
Rot. Bonds5

About N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 7368852) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID7368852
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC NameN-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H12ClN3O4/c19-16-10-13(22(24)25)6-8-15(16)17-9-7-14(26-17)11-20-21-18(23)12-4-2-1-3-5-12/h1-11H,(H,21,23)/b20-11-
InChIKeyWUBAKOANDFKQBP-JAIQZWGSSA-N
XLogP4.27
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
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

2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
3-acetamido-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4316328
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 7368852) is N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1.
What is the InChIKey of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is WUBAKOANDFKQBP-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-16-10-13(22(24)25)6-8-15(16)17-9-7-14(26-17)11-20-21-18(23)12-4-2-1-3-5-12/h1-11H,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 369.76 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 7368852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).