3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide

C16H12N4O5 — CID 174532722

IUPAC3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)C(NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H12N4O5/c17-16(23)19-12-7-6-10(20(24)25)8-11(12)13(15(19)22)18-14(21)9-4-2-1-3-5-9/h1-8,13H,(H2,17,23)(H,18,21)
InChIKeyMKUNXNDGMYPEMV-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.49
Rot. Bonds3

About 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide

3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide (PubChem CID 174532722) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide.

Molecular Properties

Compound Name3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide
PubChem CID174532722
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)C(NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H12N4O5/c17-16(23)19-12-7-6-10(20(24)25)8-11(12)13(15(19)22)18-14(21)9-4-2-1-3-5-9/h1-8,13H,(H2,17,23)(H,18,21)
InChIKeyMKUNXNDGMYPEMV-UHFFFAOYSA-N
XLogP1.49
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-benzamido-5-cyclohexyl-2-oxo-3H-indole-1-carboxamide
CID 174532712
N-(1-methyl-6-nitro-2H-quinolin-2-yl)benzamide
CID 138858167
3-(benzenesulfonyl)-1-carbamoyl-5-nitro-2,3-dihydroindole-2-carboxylic acid
CID 174371567
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
benzamide;3-nitrobenzoic acid
CID 139144379
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
benzamido 2-chloro-4-nitrobenzoate
CID 59855635
1-methyl-6-nitro-3-phenyl-3H-indol-2-one
CID 11334666
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide?
The IUPAC name of 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide (CID 174532722) is 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide.
What is the SMILES notation for 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide?
The canonical SMILES for 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide is NC(=O)N1C(=O)C(NC(=O)c2ccccc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide?
The InChIKey is MKUNXNDGMYPEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5/c17-16(23)19-12-7-6-10(20(24)25)8-11(12)13(15(19)22)18-14(21)9-4-2-1-3-5-9/h1-8,13H,(H2,17,23)(H,18,21).
What are the key properties of 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide?
3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-nitro-2-oxo-3H-indole-1-carboxamide is sourced from PubChem (CID 174532722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).