2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide

C17H18ClFN4O — CID 122352101

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H18ClFN4O/c18-14-4-3-5-15(19)13(14)10-16(24)21-11-12-6-7-20-17(22-12)23-8-1-2-9-23/h3-7H,1-2,8-11H2,(H,21,24)
InChIKeyXFOVYAHQFWGOSE-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122352101) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
PubChem CID122352101
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H18ClFN4O/c18-14-4-3-5-15(19)13(14)10-16(24)21-11-12-6-7-20-17(22-12)23-8-1-2-9-23/h3-7H,1-2,8-11H2,(H,21,24)
InChIKeyXFOVYAHQFWGOSE-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122352082
2-(2-chloro-6-fluorophenyl)-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343900
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
1-(2-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967285
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2-(2,6-dichlorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 47312763

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide (CID 122352101) is 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCc1ccnc(N2CCCC2)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is XFOVYAHQFWGOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-14-4-3-5-15(19)13(14)10-16(24)21-11-12-6-7-20-17(22-12)23-8-1-2-9-23/h3-7H,1-2,8-11H2,(H,21,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 348.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122352101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).