[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

C20H23N3O3 — CID 55645791

IUPAC[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C20H23N3O3/c1-3-21(4-2)14-15-5-7-17(8-6-15)20(24)22-12-11-16-9-10-18(23(25)26)13-19(16)22/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyOXWACZWJYWXHDM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.64
Rot. Bonds6

About [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone

[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (PubChem CID 55645791) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
PubChem CID55645791
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1
InChIInChI=1S/C20H23N3O3/c1-3-21(4-2)14-15-5-7-17(8-6-15)20(24)22-12-11-16-9-10-18(23(25)26)13-19(16)22/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyOXWACZWJYWXHDM-UHFFFAOYSA-N
XLogP3.64
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.64
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

(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
N,N-diethyl-2-methyl-5-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55483239
(7-nitro-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 110291906
(6-nitro-2,3-dihydroindol-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 16582546
(2,3-dimethyl-1H-indol-5-yl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37162521
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
furan-2-yl-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110287360
3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzonitrile
CID 16603335
N-[4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 37162744
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
(5-nitro-2,3-dihydroindol-1-yl)-phenylmethanone
CID 4680241
3-[methyl-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911081

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone (CID 55645791) is [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is CCN(CC)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1.
What is the InChIKey of [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OXWACZWJYWXHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-21(4-2)14-15-5-7-17(8-6-15)20(24)22-12-11-16-9-10-18(23(25)26)13-19(16)22/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone?
[4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 353.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)phenyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55645791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).