N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

C20H14N4O4 — CID 70130696

IUPACN-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H14N4O4/c25-20(23-21-12-14-10-11-17(28-14)24(26)27)19-18(13-6-2-1-3-7-13)15-8-4-5-9-16(15)22-19/h1-12,22H,(H,23,25)
InChIKeyQTCPMRRRFNCNRA-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.10
Rot. Bonds5

About N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide

N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 70130696) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
PubChem CID70130696
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC NameN-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])o1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C20H14N4O4/c25-20(23-21-12-14-10-11-17(28-14)24(26)27)19-18(13-6-2-1-3-7-13)15-8-4-5-9-16(15)22-19/h1-12,22H,(H,23,25)
InChIKeyQTCPMRRRFNCNRA-UHFFFAOYSA-N
XLogP4.10
TPSA113.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide (CID 70130696) is N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is QTCPMRRRFNCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-20(23-21-12-14-10-11-17(28-14)24(26)27)19-18(13-6-2-1-3-7-13)15-8-4-5-9-16(15)22-19/h1-12,22H,(H,23,25).
What are the key properties of N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide?
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70130696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).