[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone

C21H20F2N2O3 — CID 100713757

IUPAC[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(OC(F)F)c1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H20F2N2O3/c22-21(23)28-17-5-3-4-14(11-17)20(26)25-8-9-27-13-16(25)10-15-12-24-19-7-2-1-6-18(15)19/h1-7,11-12,16,21,24H,8-10,13H2/t16-/m1/s1
InChIKeyREGOCUSOBBJZJX-MRXNPFEDSA-N
MW386.40 g/mol
LogP3.85
Rot. Bonds5

About [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone

[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone (PubChem CID 100713757) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone
PubChem CID100713757
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(OC(F)F)c1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H20F2N2O3/c22-21(23)28-17-5-3-4-14(11-17)20(26)25-8-9-27-13-16(25)10-15-12-24-19-7-2-1-6-18(15)19/h1-7,11-12,16,21,24H,8-10,13H2/t16-/m1/s1
InChIKeyREGOCUSOBBJZJX-MRXNPFEDSA-N
XLogP3.85
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-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

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone (CID 100713757) is [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone is O=C(c1cccc(OC(F)F)c1)N1CCOC[C@H]1Cc1c[nH]c2ccccc12.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone?
The InChIKey is REGOCUSOBBJZJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c22-21(23)28-17-5-3-4-14(11-17)20(26)25-8-9-27-13-16(25)10-15-12-24-19-7-2-1-6-18(15)19/h1-7,11-12,16,21,24H,8-10,13H2/t16-/m1/s1.
What are the key properties of [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone?
[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone has a molecular weight of 386.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 100713757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).