2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide

C24H21F4N3O2 — CID 118393437

IUPAC2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cc(C3CCC(C)O3)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1
InChIInChI=1S/C24H21F4N3O2/c1-13-8-9-21(33-13)16-10-17(19(25)11-18(16)24(26,27)28)23(32)31-20-12-29-14(2)30-22(20)15-6-4-3-5-7-15/h3-7,10-13,21H,8-9H2,1-2H3,(H,31,32)
InChIKeyZANJVJFOGFOABD-UHFFFAOYSA-N
MW459.44 g/mol
LogP6.10
Rot. Bonds4

About 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide

2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393437) has the molecular formula C24H21F4N3O2 and a molecular weight of 459.44 g/mol. Its IUPAC name is 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393437
Molecular FormulaC24H21F4N3O2
Molecular Weight459.44 g/mol
Exact Mass459.16
IUPAC Name2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cc(C3CCC(C)O3)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1
InChIInChI=1S/C24H21F4N3O2/c1-13-8-9-21(33-13)16-10-17(19(25)11-18(16)24(26,27)28)23(32)31-20-12-29-14(2)30-22(20)15-6-4-3-5-7-15/h3-7,10-13,21H,8-9H2,1-2H3,(H,31,32)
InChIKeyZANJVJFOGFOABD-UHFFFAOYSA-N
XLogP6.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.44
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 91933895
CID 91933895
CID 10388673
CID 10388673
CID 71456247
CID 71456247
CID 89442534
CID 89442534
CID 90041495
CID 90041495
CID 118392390
CID 118392390
CID 118392492
CID 118392492
CID 118392507
CID 118392507
CID 118392510
CID 118392510
CID 118393352
CID 118393352
CID 89763952
CID 89763952
CID 129010753
CID 129010753

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide (CID 118393437) is 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cc(C3CCC(C)O3)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1.
What is the InChIKey of 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZANJVJFOGFOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N3O2/c1-13-8-9-21(33-13)16-10-17(19(25)11-18(16)24(26,27)28)23(32)31-20-12-29-14(2)30-22(20)15-6-4-3-5-7-15/h3-7,10-13,21H,8-9H2,1-2H3,(H,31,32).
What are the key properties of 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 459.44 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-methyloxolan-2-yl)-N-(2-methyl-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).