3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide

C19H22ClFN4O2 — CID 122319168

IUPAC3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)CCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H22ClFN4O2/c1-13-10-18(25-6-8-27-9-7-25)24-17(23-13)12-22-19(26)5-3-14-2-4-16(21)15(20)11-14/h2,4,10-11H,3,5-9,12H2,1H3,(H,22,26)
InChIKeyIUFDKFINWAMACA-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.66
Rot. Bonds6

About 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide

3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide (PubChem CID 122319168) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
PubChem CID122319168
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)CCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C19H22ClFN4O2/c1-13-10-18(25-6-8-27-9-7-25)24-17(23-13)12-22-19(26)5-3-14-2-4-16(21)15(20)11-14/h2,4,10-11H,3,5-9,12H2,1H3,(H,22,26)
InChIKeyIUFDKFINWAMACA-UHFFFAOYSA-N
XLogP2.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122294239
3-(3-chloro-4-fluorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322348
3-(3-chloro-4-fluorophenyl)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
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2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
CID 122253619
1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 122318998
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-(4-methylphenoxy)acetamide
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5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
2-cyclopentyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 122319033
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide (CID 122319168) is 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide is Cc1cc(N2CCOCC2)nc(CNC(=O)CCc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
The InChIKey is IUFDKFINWAMACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-13-10-18(25-6-8-27-9-7-25)24-17(23-13)12-22-19(26)5-3-14-2-4-16(21)15(20)11-14/h2,4,10-11H,3,5-9,12H2,1H3,(H,22,26).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide has a molecular weight of 392.86 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 122319168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).