N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C21H16F4N4O2 — CID 18005155

IUPACN-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cncnc3)c1)CC2
InChIInChI=1S/C21H16F4N4O2/c1-31-19-6-12-2-3-29(18(12)8-17(19)21(23,24)25)20(30)28-16-5-13(4-15(22)7-16)14-9-26-11-27-10-14/h4-11H,2-3H2,1H3,(H,28,30)
InChIKeyZWZXFYXKXDUFQY-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.90
Rot. Bonds3

About N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 18005155) has the molecular formula C21H16F4N4O2 and a molecular weight of 432.38 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID18005155
Molecular FormulaC21H16F4N4O2
Molecular Weight432.38 g/mol
Exact Mass432.12
IUPAC NameN-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cncnc3)c1)CC2
InChIInChI=1S/C21H16F4N4O2/c1-31-19-6-12-2-3-29(18(12)8-17(19)21(23,24)25)20(30)28-16-5-13(4-15(22)7-16)14-9-26-11-27-10-14/h4-11H,2-3H2,1H3,(H,28,30)
InChIKeyZWZXFYXKXDUFQY-UHFFFAOYSA-N
XLogP4.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 18005155) is N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(F)cc(-c3cncnc3)c1)CC2.
What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ZWZXFYXKXDUFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O2/c1-31-19-6-12-2-3-29(18(12)8-17(19)21(23,24)25)20(30)28-16-5-13(4-15(22)7-16)14-9-26-11-27-10-14/h4-11H,2-3H2,1H3,(H,28,30).
What are the key properties of N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 432.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pyrimidin-5-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 18005155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).