N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide

C23H15F2N3O — CID 1487233

IUPACN-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H15F2N3O/c24-19-12-11-17(13-20(19)25)27-23(29)18-14-26-22(16-9-5-2-6-10-16)28-21(18)15-7-3-1-4-8-15/h1-14H,(H,27,29)
InChIKeyKVGANTODEZYGKO-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.34
Rot. Bonds4

About N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide (PubChem CID 1487233) has the molecular formula C23H15F2N3O and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide
PubChem CID1487233
Molecular FormulaC23H15F2N3O
Molecular Weight387.39 g/mol
Exact Mass387.12
IUPAC NameN-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H15F2N3O/c24-19-12-11-17(13-20(19)25)27-23(29)18-14-26-22(16-9-5-2-6-10-16)28-21(18)15-7-3-1-4-8-15/h1-14H,(H,27,29)
InChIKeyKVGANTODEZYGKO-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide (CID 1487233) is N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
The InChIKey is KVGANTODEZYGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O/c24-19-12-11-17(13-20(19)25)27-23(29)18-14-26-22(16-9-5-2-6-10-16)28-21(18)15-7-3-1-4-8-15/h1-14H,(H,27,29).
What are the key properties of N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,4-diphenylpyrimidine-5-carboxamide is sourced from PubChem (CID 1487233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).