N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide

C18H16F4N2O2 — CID 113092724

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O2/c19-14-5-6-16(24-7-9-26-10-8-24)15(11-14)23-17(25)12-1-3-13(4-2-12)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyRMMZEVHKYROMSO-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.93
Rot. Bonds3

About N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide

N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 113092724) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID113092724
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O2/c19-14-5-6-16(24-7-9-26-10-8-24)15(11-14)23-17(25)12-1-3-13(4-2-12)18(20,21)22/h1-6,11H,7-10H2,(H,23,25)
InChIKeyRMMZEVHKYROMSO-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide (CID 113092724) is N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc(F)ccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is RMMZEVHKYROMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c19-14-5-6-16(24-7-9-26-10-8-24)15(11-14)23-17(25)12-1-3-13(4-2-12)18(20,21)22/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 368.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113092724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).