N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide

C17H12ClN3O5 — CID 6058975

IUPACN-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C17H12ClN3O5/c1-10-13(6-7-25-10)17(22)20-19-9-12-3-5-16(26-12)14-4-2-11(21(23)24)8-15(14)18/h2-9H,1H3,(H,20,22)/b19-9-
InChIKeySFRCONVEFLZDJV-OCKHKDLRSA-N
MW373.75 g/mol
LogP4.17
Rot. Bonds5

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

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6058975) has the molecular formula C17H12ClN3O5 and a molecular weight of 373.75 g/mol. Its IUPAC name is N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6058975
Molecular FormulaC17H12ClN3O5
Molecular Weight373.75 g/mol
Exact Mass373.05
IUPAC NameN-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C17H12ClN3O5/c1-10-13(6-7-25-10)17(22)20-19-9-12-3-5-16(26-12)14-4-2-11(21(23)24)8-15(14)18/h2-9H,1H3,(H,20,22)/b19-9-
InChIKeySFRCONVEFLZDJV-OCKHKDLRSA-N
XLogP4.17
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-methyl-N-[(Z)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carboxamide
CID 6038632
2-methyl-N-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carboxamide
CID 4214212
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126229875
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]-4-ethoxybenzamide
CID 9215198
3-acetamido-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4316328
2-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzamide
CID 5413434
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide (CID 6058975) is N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is SFRCONVEFLZDJV-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H12ClN3O5/c1-10-13(6-7-25-10)17(22)20-19-9-12-3-5-16(26-12)14-4-2-11(21(23)24)8-15(14)18/h2-9H,1H3,(H,20,22)/b19-9-.
What are the key properties of N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 373.75 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6058975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).