N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide

C24H17ClFN3O3 — CID 53116939

IUPACN-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1Cl
InChIInChI=1S/C24H17ClFN3O3/c1-31-22-10-7-19(12-21(22)25)29-23(30)16-4-2-3-15(11-16)17-13-27-24(28-14-17)32-20-8-5-18(26)6-9-20/h2-14H,1H3,(H,29,30)
InChIKeyVAYMNEYIBQZIFW-UHFFFAOYSA-N
MW449.87 g/mol
LogP5.99
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide

N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116939) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116939
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1Cl
InChIInChI=1S/C24H17ClFN3O3/c1-31-22-10-7-19(12-21(22)25)29-23(30)16-4-2-3-15(11-16)17-13-27-24(28-14-17)32-20-8-5-18(26)6-9-20/h2-14H,1H3,(H,29,30)
InChIKeyVAYMNEYIBQZIFW-UHFFFAOYSA-N
XLogP5.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.87
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-(2-methoxyphenyl)benzamide
CID 53116926
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116991
N-(3-chloro-4-methoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826642
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 58930781

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide (CID 53116939) is N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide is COc1ccc(NC(=O)c2cccc(-c3cnc(Oc4ccc(F)cc4)nc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is VAYMNEYIBQZIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c1-31-22-10-7-19(12-21(22)25)29-23(30)16-4-2-3-15(11-16)17-13-27-24(28-14-17)32-20-8-5-18(26)6-9-20/h2-14H,1H3,(H,29,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide?
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 449.87 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).