N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide

C20H17F2N3O — CID 50940989

IUPACN-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1
InChIInChI=1S/C20H17F2N3O/c1-2-7-19(26)24-18-12-17(13-8-3-5-10-15(13)21)23-20(25-18)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26)
InChIKeyWNTWPGAWKVOARH-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.83
Rot. Bonds5

About N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide

N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide (PubChem CID 50940989) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide
PubChem CID50940989
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1
InChIInChI=1S/C20H17F2N3O/c1-2-7-19(26)24-18-12-17(13-8-3-5-10-15(13)21)23-20(25-18)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26)
InChIKeyWNTWPGAWKVOARH-UHFFFAOYSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide?
The IUPAC name of N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide (CID 50940989) is N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide.
What is the SMILES notation for N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide?
The canonical SMILES for N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide is CCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1.
What is the InChIKey of N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide?
The InChIKey is WNTWPGAWKVOARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-2-7-19(26)24-18-12-17(13-8-3-5-10-15(13)21)23-20(25-18)14-9-4-6-11-16(14)22/h3-6,8-12H,2,7H2,1H3,(H,23,24,25,26).
What are the key properties of N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide?
N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide has a molecular weight of 353.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(2-fluorophenyl)pyrimidin-4-yl]butanamide is sourced from PubChem (CID 50940989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).