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

C20H15ClN4O5 — CID 3917613

IUPAC3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C20H15ClN4O5/c1-12(26)23-15-4-2-3-13(9-15)20(27)24-22-11-16-6-8-19(30-16)17-7-5-14(21)10-18(17)25(28)29/h2-11H,1H3,(H,23,26)(H,24,27)
InChIKeyBCYLVQCEGKQZHZ-UHFFFAOYSA-N
MW426.82 g/mol
LogP4.23
Rot. Bonds6

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

3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 3917613) has the molecular formula C20H15ClN4O5 and a molecular weight of 426.82 g/mol. Its IUPAC name is 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID3917613
Molecular FormulaC20H15ClN4O5
Molecular Weight426.82 g/mol
Exact Mass426.07
IUPAC Name3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C20H15ClN4O5/c1-12(26)23-15-4-2-3-13(9-15)20(27)24-22-11-16-6-8-19(30-16)17-7-5-14(21)10-18(17)25(28)29/h2-11H,1H3,(H,23,26)(H,24,27)
InChIKeyBCYLVQCEGKQZHZ-UHFFFAOYSA-N
XLogP4.23
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide 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-acetamido-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4316328
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
3-acetamido-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6293347
4-acetamido-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3883202
3-acetamido-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171136007
4-acetamido-N-[[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5236886
2-[5-[[(3-acetamidobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3311637
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126369010
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351695
N-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-3-chlorobenzamide
CID 6154396
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

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 3917613) is 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1.
What is the InChIKey of 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is BCYLVQCEGKQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O5/c1-12(26)23-15-4-2-3-13(9-15)20(27)24-22-11-16-6-8-19(30-16)17-7-5-14(21)10-18(17)25(28)29/h2-11H,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 426.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 3917613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).