N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C18H12ClN3O4 — CID 50883784

IUPACN-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1
InChIInChI=1S/C18H12ClN3O4/c19-15-8-6-13(10-16(15)22(24)25)17-9-7-14(26-17)11-20-21-18(23)12-4-2-1-3-5-12/h1-11H,(H,21,23)
InChIKeyRMAJHMCOAPNVMF-UHFFFAOYSA-N
MW369.76 g/mol
LogP4.27
Rot. Bonds5

About N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide

N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 50883784) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID50883784
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC NameN-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1
InChIInChI=1S/C18H12ClN3O4/c19-15-8-6-13(10-16(15)22(24)25)17-9-7-14(26-17)11-20-21-18(23)12-4-2-1-3-5-12/h1-11H,(H,21,23)
InChIKeyRMAJHMCOAPNVMF-UHFFFAOYSA-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

N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 5497492
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657729
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
4-amino-N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 3097054
methyl 2-chloro-5-[5-[[(3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3980033
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
4-acetamido-N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5235134
4-acetamido-N-[(Z)-[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6309382
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 1041488
N-[(E)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143767

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 50883784) is N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is RMAJHMCOAPNVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-15-8-6-13(10-16(15)22(24)25)17-9-7-14(26-17)11-20-21-18(23)12-4-2-1-3-5-12/h1-11H,(H,21,23).
What are the key properties of N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
N-[[5-(4-chloro-3-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-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 50883784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).