4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide

C18H16N2O3 — CID 7931301

IUPAC4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c1-11(23-13-8-6-12(7-9-13)18(19)22)17(21)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H2,19,22)/t11-/m0/s1
InChIKeyXKYLWVYUAIBAJB-NSHDSACASA-N
MW308.34 g/mol
LogP2.92
Rot. Bonds5

About 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide

4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 7931301) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide
PubChem CID7931301
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(N)=O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c1-11(23-13-8-6-12(7-9-13)18(19)22)17(21)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H2,19,22)/t11-/m0/s1
InChIKeyXKYLWVYUAIBAJB-NSHDSACASA-N
XLogP2.92
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide 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

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 8790821
(2R)-2-(2-chlorophenoxy)-1-(1H-indol-3-yl)propan-1-one
CID 7815825
7-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7564295
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7493007
7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 40612955
4-[4-[(1H-indole-3-carbonylamino)carbamoyl]phenoxy]benzamide
CID 56545246
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
(2R)-1-(1H-indol-3-yl)-2-(2-nitrophenoxy)propan-1-one
CID 7819094
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609192
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(difluoromethoxy)benzoate
CID 4537879

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide (CID 7931301) is 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is XKYLWVYUAIBAJB-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(23-13-8-6-12(7-9-13)18(19)22)17(21)15-10-20-16-5-3-2-4-14(15)16/h2-11,20H,1H3,(H2,19,22)/t11-/m0/s1.
What are the key properties of 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide?
4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 7931301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).