N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide

C19H15ClFN3O2 — CID 139010130

IUPACN-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCC(O)c1cc(F)cc(Cl)c1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H15ClFN3O2/c20-15-6-13(7-16(21)8-15)17(25)11-24-19(26)14-9-22-18(23-10-14)12-4-2-1-3-5-12/h1-10,17,25H,11H2,(H,24,26)
InChIKeyGQYYBAFGVYWRRX-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide

N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 139010130) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID139010130
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCC(O)c1cc(F)cc(Cl)c1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H15ClFN3O2/c20-15-6-13(7-16(21)8-15)17(25)11-24-19(26)14-9-22-18(23-10-14)12-4-2-1-3-5-12/h1-10,17,25H,11H2,(H,24,26)
InChIKeyGQYYBAFGVYWRRX-UHFFFAOYSA-N
XLogP3.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide (CID 139010130) is N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide is O=C(NCC(O)c1cc(F)cc(Cl)c1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is GQYYBAFGVYWRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-6-13(7-16(21)8-15)17(25)11-24-19(26)14-9-22-18(23-10-14)12-4-2-1-3-5-12/h1-10,17,25H,11H2,(H,24,26).
What are the key properties of N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide?
N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 139010130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).