2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide

C20H16Cl2FN3O2 — CID 138634119

IUPAC2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C20H16Cl2FN3O2/c1-11(10-27)24-20(28)18-9-17(12-2-5-14(21)6-3-12)25-19(26-18)13-4-7-16(23)15(22)8-13/h2-9,11,27H,10H2,1H3,(H,24,28)
InChIKeyRIZQGOGJDLQDOA-UHFFFAOYSA-N
MW420.27 g/mol
LogP4.37
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide

2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide (PubChem CID 138634119) has the molecular formula C20H16Cl2FN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
PubChem CID138634119
Molecular FormulaC20H16Cl2FN3O2
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C20H16Cl2FN3O2/c1-11(10-27)24-20(28)18-9-17(12-2-5-14(21)6-3-12)25-19(26-18)13-4-7-16(23)15(22)8-13/h2-9,11,27H,10H2,1H3,(H,24,28)
InChIKeyRIZQGOGJDLQDOA-UHFFFAOYSA-N
XLogP4.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide (CID 138634119) is 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide is CC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is RIZQGOGJDLQDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O2/c1-11(10-27)24-20(28)18-9-17(12-2-5-14(21)6-3-12)25-19(26-18)13-4-7-16(23)15(22)8-13/h2-9,11,27H,10H2,1H3,(H,24,28).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide?
2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 138634119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).