2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

C18H20ClFN4O — CID 90546137

IUPAC2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC1CCN(c2cc(NC(=O)Cc3c(F)cccc3Cl)ncn2)CC1
InChIInChI=1S/C18H20ClFN4O/c1-12-5-7-24(8-6-12)17-10-16(21-11-22-17)23-18(25)9-13-14(19)3-2-4-15(13)20/h2-4,10-12H,5-9H2,1H3,(H,21,22,23,25)
InChIKeyGFLOGGQXWNYDPU-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90546137) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID90546137
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCC1CCN(c2cc(NC(=O)Cc3c(F)cccc3Cl)ncn2)CC1
InChIInChI=1S/C18H20ClFN4O/c1-12-5-7-24(8-6-12)17-10-16(21-11-22-17)23-18(25)9-13-14(19)3-2-4-15(13)20/h2-4,10-12H,5-9H2,1H3,(H,21,22,23,25)
InChIKeyGFLOGGQXWNYDPU-UHFFFAOYSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-(4-nitrophenyl)acetamide
CID 90545987
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide
CID 90546153
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
N-(3,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856502
2-(2-chloro-6-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308294
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide (CID 90546137) is 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is CC1CCN(c2cc(NC(=O)Cc3c(F)cccc3Cl)ncn2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is GFLOGGQXWNYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c1-12-5-7-24(8-6-12)17-10-16(21-11-22-17)23-18(25)9-13-14(19)3-2-4-15(13)20/h2-4,10-12H,5-9H2,1H3,(H,21,22,23,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 362.84 g/mol, XLogP of 3.69, 4 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-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90546137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).