N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C21H19FN4O — CID 53108712

IUPACN-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-c2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C21H19FN4O/c22-18-7-4-8-19(12-18)25-20(27)16-6-3-5-15(11-16)17-13-23-21(24-14-17)26-9-1-2-10-26/h3-8,11-14H,1-2,9-10H2,(H,25,27)
InChIKeyXVMHPDYOLRQSIF-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.14
Rot. Bonds4

About N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108712) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108712
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-c2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C21H19FN4O/c22-18-7-4-8-19(12-18)25-20(27)16-6-3-5-15(11-16)17-13-23-21(24-14-17)26-9-1-2-10-26/h3-8,11-14H,1-2,9-10H2,(H,25,27)
InChIKeyXVMHPDYOLRQSIF-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53108712) is N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(-c2cnc(N3CCCC3)nc2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is XVMHPDYOLRQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-18-7-4-8-19(12-18)25-20(27)16-6-3-5-15(11-16)17-13-23-21(24-14-17)26-9-1-2-10-26/h3-8,11-14H,1-2,9-10H2,(H,25,27).
What are the key properties of N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 362.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).