N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide

C18H12BrN3O4 — CID 5440764

IUPACN-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H12BrN3O4/c19-14-6-4-12(5-7-14)17-9-8-16(26-17)11-20-21-18(23)13-2-1-3-15(10-13)22(24)25/h1-11H,(H,21,23)/b20-11-
InChIKeySJUHAUXZJLWQAM-JAIQZWGSSA-N
MW414.22 g/mol
LogP4.38
Rot. Bonds5

About N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide

N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide (PubChem CID 5440764) has the molecular formula C18H12BrN3O4 and a molecular weight of 414.22 g/mol. Its IUPAC name is N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
PubChem CID5440764
Molecular FormulaC18H12BrN3O4
Molecular Weight414.22 g/mol
Exact Mass413.00
IUPAC NameN-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H12BrN3O4/c19-14-6-4-12(5-7-14)17-9-8-16(26-17)11-20-21-18(23)13-2-1-3-15(10-13)22(24)25/h1-11H,(H,21,23)/b20-11-
InChIKeySJUHAUXZJLWQAM-JAIQZWGSSA-N
XLogP4.38
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 54.38
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'}

Analyze N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide 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

3-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846761
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741
3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6882593
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
methyl 2-chloro-5-[5-[[(3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3980033
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3-chlorobenzamide
CID 6154396
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471
3-(diethylsulfamoyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6893231
N-[(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090053
N-[[4-bromo-5-(dimethylamino)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 91991410
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-propoxybenzamide
CID 133169510

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide (CID 5440764) is N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide?
The InChIKey is SJUHAUXZJLWQAM-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H12BrN3O4/c19-14-6-4-12(5-7-14)17-9-8-16(26-17)11-20-21-18(23)13-2-1-3-15(10-13)22(24)25/h1-11H,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide?
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide has a molecular weight of 414.22 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 5440764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).