[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

C20H24NO4P — CID 15053682

IUPAC[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCOP(=O)(Cc1ccc(C(=O)N2CCc3ccccc32)cc1)OCC
InChIInChI=1S/C20H24NO4P/c1-3-24-26(23,25-4-2)15-16-9-11-18(12-10-16)20(22)21-14-13-17-7-5-6-8-19(17)21/h5-12H,3-4,13-15H2,1-2H3
InChIKeyDFJUIVYSYJHIGU-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.66
Rot. Bonds7

About [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 15053682) has the molecular formula C20H24NO4P and a molecular weight of 373.39 g/mol. Its IUPAC name is [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID15053682
Molecular FormulaC20H24NO4P
Molecular Weight373.39 g/mol
Exact Mass373.14
IUPAC Name[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCOP(=O)(Cc1ccc(C(=O)N2CCc3ccccc32)cc1)OCC
InChIInChI=1S/C20H24NO4P/c1-3-24-26(23,25-4-2)15-16-9-11-18(12-10-16)20(22)21-14-13-17-7-5-6-8-19(17)21/h5-12H,3-4,13-15H2,1-2H3
InChIKeyDFJUIVYSYJHIGU-UHFFFAOYSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119761284
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367

Frequently Asked Questions

What is the IUPAC name of [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 15053682) is [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is CCOP(=O)(Cc1ccc(C(=O)N2CCc3ccccc32)cc1)OCC.
What is the InChIKey of [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is DFJUIVYSYJHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO4P/c1-3-24-26(23,25-4-2)15-16-9-11-18(12-10-16)20(22)21-14-13-17-7-5-6-8-19(17)21/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 373.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 15053682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).