N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

C24H17ClFN3O3 — CID 46386531

IUPACN-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)cc1
InChIInChI=1S/C24H17ClFN3O3/c1-31-18-6-8-19(9-7-18)32-22-11-12-27-23(29-22)15-3-2-4-16(13-15)24(30)28-17-5-10-21(26)20(25)14-17/h2-14H,1H3,(H,28,30)
InChIKeyVHXRDVDLBRLUNL-UHFFFAOYSA-N
MW449.87 g/mol
LogP5.99
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386531) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386531
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)cc1
InChIInChI=1S/C24H17ClFN3O3/c1-31-18-6-8-19(9-7-18)32-22-11-12-27-23(29-22)15-3-2-4-16(13-15)24(30)28-17-5-10-21(26)20(25)14-17/h2-14H,1H3,(H,28,30)
InChIKeyVHXRDVDLBRLUNL-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

N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092970
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116991
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090601
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386531) is N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1ccc(Oc2ccnc(-c3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3)n2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is VHXRDVDLBRLUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c1-31-18-6-8-19(9-7-18)32-22-11-12-27-23(29-22)15-3-2-4-16(13-15)24(30)28-17-5-10-21(26)20(25)14-17/h2-14H,1H3,(H,28,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-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-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).