4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

C26H22FN3O2 — CID 95087279

IUPAC4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1
InChIInChI=1S/C26H22FN3O2/c1-17-3-5-19(6-4-17)18(2)30-25(31)21-9-7-20(8-10-21)22-15-28-26(29-16-22)32-24-13-11-23(27)12-14-24/h3-16,18H,1-2H3,(H,30,31)/t18-/m1/s1
InChIKeyQPVBKLYFSTWMIR-GOSISDBHSA-N
MW427.48 g/mol
LogP5.87
Rot. Bonds6

About 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 95087279) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID95087279
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1
InChIInChI=1S/C26H22FN3O2/c1-17-3-5-19(6-4-17)18(2)30-25(31)21-9-7-20(8-10-21)22-15-28-26(29-16-22)32-24-13-11-23(27)12-14-24/h3-16,18H,1-2H3,(H,30,31)/t18-/m1/s1
InChIKeyQPVBKLYFSTWMIR-GOSISDBHSA-N
XLogP5.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 92883150
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166520
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (CID 95087279) is 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is QPVBKLYFSTWMIR-GOSISDBHSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-17-3-5-19(6-4-17)18(2)30-25(31)21-9-7-20(8-10-21)22-15-28-26(29-16-22)32-24-13-11-23(27)12-14-24/h3-16,18H,1-2H3,(H,30,31)/t18-/m1/s1.
What are the key properties of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 427.48 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 95087279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).