N-benzyl-7-nitro-1H-indole-2-carboxamide

C16H13N3O3 — CID 2823655

IUPACN-benzyl-7-nitro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C16H13N3O3/c20-16(17-10-11-5-2-1-3-6-11)13-9-12-7-4-8-14(19(21)22)15(12)18-13/h1-9,18H,10H2,(H,17,20)
InChIKeyUDBOPRXAOOINGA-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.01
Rot. Bonds4

About N-benzyl-7-nitro-1H-indole-2-carboxamide

N-benzyl-7-nitro-1H-indole-2-carboxamide (PubChem CID 2823655) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-benzyl-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-nitro-1H-indole-2-carboxamide
PubChem CID2823655
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-benzyl-7-nitro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1
InChIInChI=1S/C16H13N3O3/c20-16(17-10-11-5-2-1-3-6-11)13-9-12-7-4-8-14(19(21)22)15(12)18-13/h1-9,18H,10H2,(H,17,20)
InChIKeyUDBOPRXAOOINGA-UHFFFAOYSA-N
XLogP3.01
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-benzyl-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-benzyl-7-nitro-1H-indole-2-carboxamide (CID 2823655) is N-benzyl-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-benzyl-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-benzyl-7-nitro-1H-indole-2-carboxamide is O=C(NCc1ccccc1)c1cc2cccc([N+](=O)[O-])c2[nH]1.
What is the InChIKey of N-benzyl-7-nitro-1H-indole-2-carboxamide?
The InChIKey is UDBOPRXAOOINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(17-10-11-5-2-1-3-6-11)13-9-12-7-4-8-14(19(21)22)15(12)18-13/h1-9,18H,10H2,(H,17,20).
What are the key properties of N-benzyl-7-nitro-1H-indole-2-carboxamide?
N-benzyl-7-nitro-1H-indole-2-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 2823655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).