(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone

C16H14N2O4 — CID 112537037

IUPAC(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cccc([N+](=O)[O-])c32)c1
InChIInChI=1S/C16H14N2O4/c1-22-13-6-2-5-12(10-13)16(19)17-9-8-11-4-3-7-14(15(11)17)18(20)21/h2-7,10H,8-9H2,1H3
InChIKeyXXNYRKIEDWULEG-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.81
Rot. Bonds3

About (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone

(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 112537037) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID112537037
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cccc([N+](=O)[O-])c32)c1
InChIInChI=1S/C16H14N2O4/c1-22-13-6-2-5-12(10-13)16(19)17-9-8-11-4-3-7-14(15(11)17)18(20)21/h2-7,10H,8-9H2,1H3
InChIKeyXXNYRKIEDWULEG-UHFFFAOYSA-N
XLogP2.81
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
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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Related Compounds

(2-methylphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
CID 112537041
2-methyl-1-(7-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 70797782
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 47845275
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
1-(7-nitro-2,3-dihydroindol-1-yl)-2-phenylethanone
CID 112537046
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
[4-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 36724783

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone (CID 112537037) is (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone is COc1cccc(C(=O)N2CCc3cccc([N+](=O)[O-])c32)c1.
What is the InChIKey of (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is XXNYRKIEDWULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-13-6-2-5-12(10-13)16(19)17-9-8-11-4-3-7-14(15(11)17)18(20)21/h2-7,10H,8-9H2,1H3.
What are the key properties of (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone?
(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 298.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112537037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).