N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide

C12H12Cl2N2O2 — CID 9179124

IUPACN-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H12Cl2N2O2/c1-3-16-11-8(14)5-4-7(13)9(11)10(12(16)18)15-6(2)17/h4-5,10H,3H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyUGAZCCAKBBDJOD-SNVBAGLBSA-N
MW287.15 g/mol
LogP2.54
Rot. Bonds2

About N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9179124) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9179124
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC NameN-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H12Cl2N2O2/c1-3-16-11-8(14)5-4-7(13)9(11)10(12(16)18)15-6(2)17/h4-5,10H,3H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyUGAZCCAKBBDJOD-SNVBAGLBSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9179124) is N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide is CCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is UGAZCCAKBBDJOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-3-16-11-8(14)5-4-7(13)9(11)10(12(16)18)15-6(2)17/h4-5,10H,3H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 287.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9179124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).