N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide

C20H13ClN4O4 — CID 6010515

IUPACN-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H13ClN4O4/c21-17-7-5-12(25(27)28)9-15(17)19-8-6-13(29-19)10-23-24-20(26)16-11-22-18-4-2-1-3-14(16)18/h1-11,22H,(H,24,26)/b23-10-
InChIKeyVJOLWXXTYKHFCI-RMORIDSASA-N
MW408.80 g/mol
LogP4.75
Rot. Bonds5

About N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6010515) has the molecular formula C20H13ClN4O4 and a molecular weight of 408.80 g/mol. Its IUPAC name is N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
PubChem CID6010515
Molecular FormulaC20H13ClN4O4
Molecular Weight408.80 g/mol
Exact Mass408.06
IUPAC NameN-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H13ClN4O4/c21-17-7-5-12(25(27)28)9-15(17)19-8-6-13(29-19)10-23-24-20(26)16-11-22-18-4-2-1-3-14(16)18/h1-11,22H,(H,24,26)/b23-10-
InChIKeyVJOLWXXTYKHFCI-RMORIDSASA-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

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
3,4-dichloro-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846692
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3958569
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]-3,5-dimethoxybenzamide
CID 6078144
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648369
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 5433274
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 171138890
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6058975
3,4-dichloro-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 46495621

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide (CID 6010515) is N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is VJOLWXXTYKHFCI-RMORIDSASA-N. The full InChI is InChI=1S/C20H13ClN4O4/c21-17-7-5-12(25(27)28)9-15(17)19-8-6-13(29-19)10-23-24-20(26)16-11-22-18-4-2-1-3-14(16)18/h1-11,22H,(H,24,26)/b23-10-.
What are the key properties of N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-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 N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6010515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).