(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

C19H20BrNO3 — CID 26367906

IUPAC(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccc(OC)cc2OC)c2cc(Br)ccc21
InChIInChI=1S/C19H20BrNO3/c1-4-21-17-8-6-13(20)10-15(17)16(19(21)22)9-12-5-7-14(23-2)11-18(12)24-3/h5-8,10-11,16H,4,9H2,1-3H3/t16-/m1/s1
InChIKeyRCKXRDPWQCKFGT-MRXNPFEDSA-N
MW390.28 g/mol
LogP4.16
Rot. Bonds5

About (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one (PubChem CID 26367906) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
PubChem CID26367906
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccc(OC)cc2OC)c2cc(Br)ccc21
InChIInChI=1S/C19H20BrNO3/c1-4-21-17-8-6-13(20)10-15(17)16(19(21)22)9-12-5-7-14(23-2)11-18(12)24-3/h5-8,10-11,16H,4,9H2,1-3H3/t16-/m1/s1
InChIKeyRCKXRDPWQCKFGT-MRXNPFEDSA-N
XLogP4.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367927
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912542
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
(3S)-5-bromo-3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 51539659
1-benzyl-6-bromo-3-[(2-methoxyphenyl)methyl]-3H-indol-2-one
CID 139259304
2-[7-bromo-1-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2-methylphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid
CID 68919958
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-ethylquinazolin-4-one
CID 23606632
2-[[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 92716945
(5R)-5-[(2,4-dimethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1273424

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The IUPAC name of (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one (CID 26367906) is (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one is CCN1C(=O)[C@H](Cc2ccc(OC)cc2OC)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The InChIKey is RCKXRDPWQCKFGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-4-21-17-8-6-13(20)10-15(17)16(19(21)22)9-12-5-7-14(23-2)11-18(12)24-3/h5-8,10-11,16H,4,9H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one has a molecular weight of 390.28 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 26367906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).