N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

C24H18FN3O3 — CID 53021111

IUPACN-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)ncn1
InChIInChI=1S/C24H18FN3O3/c1-30-21-4-2-3-5-22(21)31-23-14-20(26-15-27-23)16-6-8-17(9-7-16)24(29)28-19-12-10-18(25)11-13-19/h2-15H,1H3,(H,28,29)
InChIKeyLRWNOYMRZRGOPM-UHFFFAOYSA-N
MW415.42 g/mol
LogP5.34
Rot. Bonds6

About N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53021111) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53021111
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC NameN-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)ncn1
InChIInChI=1S/C24H18FN3O3/c1-30-21-4-2-3-5-22(21)31-23-14-20(26-15-27-23)16-6-8-17(9-7-16)24(29)28-19-12-10-18(25)11-13-19/h2-15H,1H3,(H,28,29)
InChIKeyLRWNOYMRZRGOPM-UHFFFAOYSA-N
XLogP5.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115093
N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115095
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086936
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115112
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53021111) is N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(F)cc3)cc2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is LRWNOYMRZRGOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c1-30-21-4-2-3-5-22(21)31-23-14-20(26-15-27-23)16-6-8-17(9-7-16)24(29)28-19-12-10-18(25)11-13-19/h2-15H,1H3,(H,28,29).
What are the key properties of N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 415.42 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53021111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).