2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide

C24H17Cl2F3N4O3 — CID 68911625

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
SMILESCCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H17Cl2F3N4O3/c1-2-36-15-6-7-18-16(11-15)19(20(34)22(35)32-23-30-8-3-9-31-23)21(24(27,28)29)33(18)12-13-4-5-14(25)10-17(13)26/h3-11H,2,12H2,1H3,(H,30,31,32,35)
InChIKeyDLNQQWCZDDSXEF-UHFFFAOYSA-N
MW537.33 g/mol
LogP6.03
Rot. Bonds7

About 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide

2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide (PubChem CID 68911625) has the molecular formula C24H17Cl2F3N4O3 and a molecular weight of 537.33 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
PubChem CID68911625
Molecular FormulaC24H17Cl2F3N4O3
Molecular Weight537.33 g/mol
Exact Mass536.06
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide
SMILESCCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H17Cl2F3N4O3/c1-2-36-15-6-7-18-16(11-15)19(20(34)22(35)32-23-30-8-3-9-31-23)21(24(27,28)29)33(18)12-13-4-5-14(25)10-17(13)26/h3-11H,2,12H2,1H3,(H,30,31,32,35)
InChIKeyDLNQQWCZDDSXEF-UHFFFAOYSA-N
XLogP6.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.33
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide (CID 68911625) is 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide is CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ncccn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide?
The InChIKey is DLNQQWCZDDSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N4O3/c1-2-36-15-6-7-18-16(11-15)19(20(34)22(35)32-23-30-8-3-9-31-23)21(24(27,28)29)33(18)12-13-4-5-14(25)10-17(13)26/h3-11H,2,12H2,1H3,(H,30,31,32,35).
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide?
2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide has a molecular weight of 537.33 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 68911625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).