2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide

C17H14ClN3O4 — CID 11187516

IUPAC2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)Cc2cc(Cl)ccc21)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14ClN3O4/c18-13-5-6-14-12(7-13)8-17(23)20(14)10-16(22)19-9-11-3-1-2-4-15(11)21(24)25/h1-7H,8-10H2,(H,19,22)
InChIKeyLOMXHTPSTZZUKO-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.45
Rot. Bonds5

About 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide

2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide (PubChem CID 11187516) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide
PubChem CID11187516
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide
SMILESO=C(CN1C(=O)Cc2cc(Cl)ccc21)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14ClN3O4/c18-13-5-6-14-12(7-13)8-17(23)20(14)10-16(22)19-9-11-3-1-2-4-15(11)21(24)25/h1-7H,8-10H2,(H,19,22)
InChIKeyLOMXHTPSTZZUKO-UHFFFAOYSA-N
XLogP2.45
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide (CID 11187516) is 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide is O=C(CN1C(=O)Cc2cc(Cl)ccc21)NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide?
The InChIKey is LOMXHTPSTZZUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c18-13-5-6-14-12(7-13)8-17(23)20(14)10-16(22)19-9-11-3-1-2-4-15(11)21(24)25/h1-7H,8-10H2,(H,19,22).
What are the key properties of 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide?
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide has a molecular weight of 359.77 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[(2-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 11187516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).