(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one

C25H21BrN2O — CID 41066027

IUPAC(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C25H21BrN2O/c1-2-15-28-24(18-7-3-4-8-19(18)25(28)29)22-20-9-5-6-10-21(20)27-23(22)16-11-13-17(26)14-12-16/h3-14,24,27H,2,15H2,1H3/t24-/m1/s1
InChIKeyKSPHOBRIEPBBCA-XMMPIXPASA-N
MW445.36 g/mol
LogP6.55
Rot. Bonds4

About (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one

(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one (PubChem CID 41066027) has the molecular formula C25H21BrN2O and a molecular weight of 445.36 g/mol. Its IUPAC name is (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
PubChem CID41066027
Molecular FormulaC25H21BrN2O
Molecular Weight445.36 g/mol
Exact Mass444.08
IUPAC Name(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
SMILESCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C25H21BrN2O/c1-2-15-28-24(18-7-3-4-8-19(18)25(28)29)22-20-9-5-6-10-21(20)27-23(22)16-11-13-17(26)14-12-16/h3-14,24,27H,2,15H2,1H3/t24-/m1/s1
InChIKeyKSPHOBRIEPBBCA-XMMPIXPASA-N
XLogP6.55
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066019
(3R)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066037
(3S)-2-butyl-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 41031659
(3R)-2-(2-hydroxyethyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 97038382
(3S)-3-[2-(3-methoxyphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066044
3-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]propanamide
CID 40932220
2-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetate
CID 7357803
(3R)-3-(2-phenyl-1H-indol-3-yl)-2-(3-propan-2-yloxypropyl)-3H-isoindol-1-one
CID 7324111
N'-(4-bromophenyl)sulfonyl-2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetohydrazide
CID 3880581
(3S)-2-[2-(4-chlorophenyl)ethyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41168856
(3R)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-2-(3-propan-2-yloxypropyl)-3H-isoindol-1-one
CID 41031684
(3S)-2-[(4-fluorophenyl)methyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031655

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one (CID 41066027) is (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one is CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12.
What is the InChIKey of (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
The InChIKey is KSPHOBRIEPBBCA-XMMPIXPASA-N. The full InChI is InChI=1S/C25H21BrN2O/c1-2-15-28-24(18-7-3-4-8-19(18)25(28)29)22-20-9-5-6-10-21(20)27-23(22)16-11-13-17(26)14-12-16/h3-14,24,27H,2,15H2,1H3/t24-/m1/s1.
What are the key properties of (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one?
(3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one has a molecular weight of 445.36 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one is sourced from PubChem (CID 41066027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).