2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

C18H15ClF4N2O2 — CID 26880886

IUPAC2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClF4N2O2/c19-14-10-12(20)2-3-13(14)17(26)24-15-9-11(18(21,22)23)1-4-16(15)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,24,26)
InChIKeyUECSBINTBOQIEZ-UHFFFAOYSA-N
MW402.78 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 26880886) has the molecular formula C18H15ClF4N2O2 and a molecular weight of 402.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID26880886
Molecular FormulaC18H15ClF4N2O2
Molecular Weight402.78 g/mol
Exact Mass402.08
IUPAC Name2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H15ClF4N2O2/c19-14-10-12(20)2-3-13(14)17(26)24-15-9-11(18(21,22)23)1-4-16(15)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,24,26)
InChIKeyUECSBINTBOQIEZ-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-chloro-4-methyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 5088986
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27997827
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 26880886) is 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UECSBINTBOQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N2O2/c19-14-10-12(20)2-3-13(14)17(26)24-15-9-11(18(21,22)23)1-4-16(15)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,24,26).
What are the key properties of 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 402.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26880886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).