2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide

C11H13ClFN3O — CID 166756962

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide
SMILESNC(=O)C(c1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H13ClFN3O/c12-11-15-5-7(13)9(16-11)8(10(14)17)6-3-1-2-4-6/h5-6,8H,1-4H2,(H2,14,17)
InChIKeyOHUQJTOSGVANGC-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide

2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide (PubChem CID 166756962) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide
PubChem CID166756962
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide
SMILESNC(=O)C(c1nc(Cl)ncc1F)C1CCCC1
InChIInChI=1S/C11H13ClFN3O/c12-11-15-5-7(13)9(16-11)8(10(14)17)6-3-1-2-4-6/h5-6,8H,1-4H2,(H2,14,17)
InChIKeyOHUQJTOSGVANGC-UHFFFAOYSA-N
XLogP2.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464662
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464678
(1R,2S,3R,4S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 58531924
(2R)-2-amino-2-(2-fluoropyrimidin-4-yl)-4-methylpentanamide
CID 68979862
1-Tert-butyl-3-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 134521262
3-(2-Chloropyrimidin-4-yl)-4-(2-fluoropropan-2-yl)pyrrolidin-2-one
CID 141420556
(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 141420574
(3S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420585
(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-fluoroethyl]pyrrolidin-2-one
CID 141420629
(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1S)-1-fluoroethyl]pyrrolidin-2-one
CID 141420676
(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide
CID 143387696
(7S)-7-(2-chloro-5-fluoropyrimidin-4-yl)-2-azaspiro[4.5]decan-3-one
CID 150001936

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide (CID 166756962) is 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide is NC(=O)C(c1nc(Cl)ncc1F)C1CCCC1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide?
The InChIKey is OHUQJTOSGVANGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O/c12-11-15-5-7(13)9(16-11)8(10(14)17)6-3-1-2-4-6/h5-6,8H,1-4H2,(H2,14,17).
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide?
2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide has a molecular weight of 257.70 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 166756962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).