(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one

C23H18ClNO — CID 50901337

IUPAC(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
SMILESO=C(C[C@H](c1cccc(Cl)c1)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H18ClNO/c24-18-10-6-9-17(13-18)20(14-23(26)16-7-2-1-3-8-16)21-15-25-22-12-5-4-11-19(21)22/h1-13,15,20,25H,14H2/t20-/m1/s1
InChIKeyTYDSMEMXDHZTLE-HXUWFJFHSA-N
MW359.86 g/mol
LogP6.23
Rot. Bonds5

About (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one

(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one (PubChem CID 50901337) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
PubChem CID50901337
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
SMILESO=C(C[C@H](c1cccc(Cl)c1)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H18ClNO/c24-18-10-6-9-17(13-18)20(14-23(26)16-7-2-1-3-8-16)21-15-25-22-12-5-4-11-19(21)22/h1-13,15,20,25H,14H2/t20-/m1/s1
InChIKeyTYDSMEMXDHZTLE-HXUWFJFHSA-N
XLogP6.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
(3R)-3-(1H-indol-3-yl)-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 139224809
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
(3R)-3-(5-bromo-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 50901334
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
diethyl 2-[(3-chlorophenyl)-(1H-indol-3-yl)methyl]propanedioate
CID 101463414
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
2-(3-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175098776
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one?
The IUPAC name of (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one (CID 50901337) is (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one is O=C(C[C@H](c1cccc(Cl)c1)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one?
The InChIKey is TYDSMEMXDHZTLE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18ClNO/c24-18-10-6-9-17(13-18)20(14-23(26)16-7-2-1-3-8-16)21-15-25-22-12-5-4-11-19(21)22/h1-13,15,20,25H,14H2/t20-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one?
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one has a molecular weight of 359.86 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 50901337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).