1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one

C15H11ClN2O3 — CID 43350321

IUPAC1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN2O3/c16-12-6-5-10(7-14(12)18(20)21)9-17-13-4-2-1-3-11(13)8-15(17)19/h1-7H,8-9H2
InChIKeyONNFREKQHPCNIX-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.34
Rot. Bonds3

About 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one

1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one (PubChem CID 43350321) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
PubChem CID43350321
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN2O3/c16-12-6-5-10(7-14(12)18(20)21)9-17-13-4-2-1-3-11(13)8-15(17)19/h1-7H,8-9H2
InChIKeyONNFREKQHPCNIX-UHFFFAOYSA-N
XLogP3.34
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.34
H-Bond Donors ≤ 50
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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Related Compounds

2-[(4-chloro-3-nitrophenyl)methyl]isoindole-1,3-dione
CID 18621850
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
2-[(3-chloro-4-nitrophenyl)methyl]isoindole-1,3-dione
CID 67300541
2-[(4-chloro-3-nitrophenyl)methyl]pyridazin-3-one
CID 62849253
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
3-[(4-chloro-3-nitrophenyl)methyl]-1,3-oxazolidin-2-one
CID 43350343
5-[(4-chloro-3-nitrophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 43350268
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
1-[(4-chloro-3-nitrophenyl)methyl]-2,6-dimethylpiperidine
CID 43169156

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one (CID 43350321) is 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one is O=C1Cc2ccccc2N1Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one?
The InChIKey is ONNFREKQHPCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-6-5-10(7-14(12)18(20)21)9-17-13-4-2-1-3-11(13)8-15(17)19/h1-7H,8-9H2.
What are the key properties of 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one?
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one has a molecular weight of 302.72 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43350321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).