(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one

C18H18ClNO3 — CID 51539730

IUPAC(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C[C@H]2C(=O)Nc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C18H18ClNO3/c1-3-23-16-7-4-11(9-17(16)22-2)8-14-13-10-12(19)5-6-15(13)20-18(14)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyUEACTWBMNZTLBV-CQSZACIVSA-N
MW331.80 g/mol
LogP4.03
Rot. Bonds5

About (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one

(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 51539730) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID51539730
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C[C@H]2C(=O)Nc3ccc(Cl)cc32)cc1OC
InChIInChI=1S/C18H18ClNO3/c1-3-23-16-7-4-11(9-17(16)22-2)8-14-13-10-12(19)5-6-15(13)20-18(14)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyUEACTWBMNZTLBV-CQSZACIVSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912764
(3S)-3-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methyl]-1,3-dihydroindol-2-one
CID 98140033
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367527
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51971626
(3R)-3-[(3-bromo-4,5-diethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 95059746
(3S)-3-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367525
(3S)-5-chloro-3-[(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 26367348
(3R)-5-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 26367950
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680

Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 51539730) is (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one is CCOc1ccc(C[C@H]2C(=O)Nc3ccc(Cl)cc32)cc1OC.
What is the InChIKey of (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is UEACTWBMNZTLBV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-3-23-16-7-4-11(9-17(16)22-2)8-14-13-10-12(19)5-6-15(13)20-18(14)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one?
(3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 331.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-[(4-ethoxy-3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 51539730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).