5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide

C20H13ClN4O4 — CID 135648369

IUPAC5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C20H13ClN4O4/c21-16-9-13(25(27)28)5-6-15(16)18-7-8-19(29-18)20(26)24-23-11-12-10-22-17-4-2-1-3-14(12)17/h1-11,22H,(H,24,26)/b23-11+
InChIKeyNGJNOIKXTYHGKU-FOKLQQMPSA-N
MW408.80 g/mol
LogP4.75
Rot. Bonds5

About 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide

5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide (PubChem CID 135648369) has the molecular formula C20H13ClN4O4 and a molecular weight of 408.80 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
PubChem CID135648369
Molecular FormulaC20H13ClN4O4
Molecular Weight408.80 g/mol
Exact Mass408.06
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C20H13ClN4O4/c21-16-9-13(25(27)28)5-6-15(16)18-7-8-19(29-18)20(26)24-23-11-12-10-22-17-4-2-1-3-14(12)17/h1-11,22H,(H,24,26)/b23-11+
InChIKeyNGJNOIKXTYHGKU-FOKLQQMPSA-N
XLogP4.75
TPSA113.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.80
LogP ≤ 54.75
H-Bond Donors ≤ 52
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

5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
CID 6010515
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135688300
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
CID 135446585
5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648367
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 86261450
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide (CID 135648369) is 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is NGJNOIKXTYHGKU-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H13ClN4O4/c21-16-9-13(25(27)28)5-6-15(16)18-7-8-19(29-18)20(26)24-23-11-12-10-22-17-4-2-1-3-14(12)17/h1-11,22H,(H,24,26)/b23-11+.
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 408.80 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135648369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).