N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide

C23H13ClF4N2O2 — CID 100506108

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H13ClF4N2O2/c24-18-10-7-14(23(26,27)28)11-19(18)30-21(31)16-3-1-2-4-17(16)22-29-12-20(32-22)13-5-8-15(25)9-6-13/h1-12H,(H,30,31)
InChIKeyQMUPSFQIRPYPJH-UHFFFAOYSA-N
MW460.81 g/mol
LogP7.07
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100506108) has the molecular formula C23H13ClF4N2O2 and a molecular weight of 460.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100506108
Molecular FormulaC23H13ClF4N2O2
Molecular Weight460.81 g/mol
Exact Mass460.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H13ClF4N2O2/c24-18-10-7-14(23(26,27)28)11-19(18)30-21(31)16-3-1-2-4-17(16)22-29-12-20(32-22)13-5-8-15(25)9-6-13/h1-12H,(H,30,31)
InChIKeyQMUPSFQIRPYPJH-UHFFFAOYSA-N
XLogP7.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.81
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide
CID 100511182
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-chloro-N-methyl-5-[[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]amino]benzamide
CID 55836034
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3-fluorophenyl)benzamide
CID 100509139
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329843
N'-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]-2-methylfuran-3-carbohydrazide
CID 36702942

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 100506108) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is QMUPSFQIRPYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF4N2O2/c24-18-10-7-14(23(26,27)28)11-19(18)30-21(31)16-3-1-2-4-17(16)22-29-12-20(32-22)13-5-8-15(25)9-6-13/h1-12H,(H,30,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 460.81 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100506108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).