(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

C34H30ClFN2O3 — CID 98443323

IUPAC(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(C[C@H](c1cccc(Oc2ccc(Cl)cc2)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C34H30ClFN2O3/c35-26-10-14-28(15-11-26)41-29-5-3-4-25(20-29)31(21-34(39)37-16-18-40-19-17-37)32-23-38(33-7-2-1-6-30(32)33)22-24-8-12-27(36)13-9-24/h1-15,20,23,31H,16-19,21-22H2/t31-/m1/s1
InChIKeyIIWKARWFYSLALQ-WJOKGBTCSA-N
MW569.08 g/mol
LogP7.66
Rot. Bonds8

About (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 98443323) has the molecular formula C34H30ClFN2O3 and a molecular weight of 569.08 g/mol. Its IUPAC name is (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID98443323
Molecular FormulaC34H30ClFN2O3
Molecular Weight569.08 g/mol
Exact Mass568.19
IUPAC Name(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(C[C@H](c1cccc(Oc2ccc(Cl)cc2)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C34H30ClFN2O3/c35-26-10-14-28(15-11-26)41-29-5-3-4-25(20-29)31(21-34(39)37-16-18-40-19-17-37)32-23-38(33-7-2-1-6-30(32)33)22-24-8-12-27(36)13-9-24/h1-15,20,23,31H,16-19,21-22H2/t31-/m1/s1
InChIKeyIIWKARWFYSLALQ-WJOKGBTCSA-N
XLogP7.66
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.08
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-chlorophenoxy)phenyl]-1-(4-ethylpiperazin-1-yl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 83273427
(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-(3-phenoxyphenyl)propan-1-one
CID 98443953
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064403
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 42774287
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 98926907
(3R)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93052046
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 98438529
(3S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propan-1-one
CID 99668457
3-[3-(4-chlorophenoxy)phenyl]-3-(1-methylindol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285652
3-[3-(4-chlorophenoxy)phenyl]-1-(4-ethylpiperazin-1-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 83285658
(3R)-3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93110563
(3R)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 98437405

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (CID 98443323) is (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(C[C@H](c1cccc(Oc2ccc(Cl)cc2)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCOCC1.
What is the InChIKey of (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IIWKARWFYSLALQ-WJOKGBTCSA-N. The full InChI is InChI=1S/C34H30ClFN2O3/c35-26-10-14-28(15-11-26)41-29-5-3-4-25(20-29)31(21-34(39)37-16-18-40-19-17-37)32-23-38(33-7-2-1-6-30(32)33)22-24-8-12-27(36)13-9-24/h1-15,20,23,31H,16-19,21-22H2/t31-/m1/s1.
What are the key properties of (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
(3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 569.08 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 98443323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).