2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide

C19H20F3N3O — CID 74220715

IUPAC2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-11-15(24-18(25-16)14-3-1-2-4-14)9-12-5-7-13(8-6-12)10-17(23)26/h5-8,11,14H,1-4,9-10H2,(H2,23,26)
InChIKeyGNLUJWOUTKYUAH-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.77
Rot. Bonds5

About 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide

2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide (PubChem CID 74220715) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide
PubChem CID74220715
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)16-11-15(24-18(25-16)14-3-1-2-4-14)9-12-5-7-13(8-6-12)10-17(23)26/h5-8,11,14H,1-4,9-10H2,(H2,23,26)
InChIKeyGNLUJWOUTKYUAH-UHFFFAOYSA-N
XLogP3.77
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide (CID 74220715) is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide is NC(=O)Cc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is GNLUJWOUTKYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)16-11-15(24-18(25-16)14-3-1-2-4-14)9-12-5-7-13(8-6-12)10-17(23)26/h5-8,11,14H,1-4,9-10H2,(H2,23,26).
What are the key properties of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide?
2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 74220715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).