3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide

C22H21FN4O3 — CID 122318892

IUPAC3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C22H21FN4O3/c23-17-4-6-18(7-5-17)30-19-3-1-2-16(14-19)22(28)25-15-20-24-9-8-21(26-20)27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H,25,28)
InChIKeyLQFYFBOGEHYABD-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.17
Rot. Bonds6

About 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide

3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122318892) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122318892
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C22H21FN4O3/c23-17-4-6-18(7-5-17)30-19-3-1-2-16(14-19)22(28)25-15-20-24-9-8-21(26-20)27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H,25,28)
InChIKeyLQFYFBOGEHYABD-UHFFFAOYSA-N
XLogP3.17
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122318873
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide (CID 122318892) is 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is O=C(NCc1nccc(N2CCOCC2)n1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is LQFYFBOGEHYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-17-4-6-18(7-5-17)30-19-3-1-2-16(14-19)22(28)25-15-20-24-9-8-21(26-20)27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H,25,28).
What are the key properties of 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide?
3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 408.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122318892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).