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

C18H12ClN3O4 — CID 5433274

IUPACN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H12ClN3O4/c19-16-4-2-1-3-15(16)17-10-9-14(26-17)11-20-21-18(23)12-5-7-13(8-6-12)22(24)25/h1-11H,(H,21,23)/b20-11-
InChIKeyBWZMVZWPAYWUOI-JAIQZWGSSA-N
MW369.76 g/mol
LogP4.27
Rot. Bonds5

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

N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide (PubChem CID 5433274) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
PubChem CID5433274
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC NameN-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H12ClN3O4/c19-16-4-2-1-3-15(16)17-10-9-14(26-17)11-20-21-18(23)12-5-7-13(8-6-12)22(24)25/h1-11H,(H,21,23)/b20-11-
InChIKeyBWZMVZWPAYWUOI-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

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
3,4-dichloro-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846692
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 1041488
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6863548
N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-N'-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 18530001
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide (CID 5433274) is N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide is O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide?
The InChIKey is BWZMVZWPAYWUOI-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-16-4-2-1-3-15(16)17-10-9-14(26-17)11-20-21-18(23)12-5-7-13(8-6-12)22(24)25/h1-11H,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide?
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide 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-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 5433274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).