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

C18H16ClF3N2O2 — CID 2121780

IUPAC4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClF3N2O2/c19-14-4-1-12(2-5-14)17(25)23-15-11-13(18(20,21)22)3-6-16(15)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H,23,25)
InChIKeyOWQRCZYORXBZKD-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.45
Rot. Bonds3

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

4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2121780) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2121780
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClF3N2O2/c19-14-4-1-12(2-5-14)17(25)23-15-11-13(18(20,21)22)3-6-16(15)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H,23,25)
InChIKeyOWQRCZYORXBZKD-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.45
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
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
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
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001
2-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 979258
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
1-(2,5-difluorophenyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 2810757
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2433948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 2121780) is 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OWQRCZYORXBZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-14-4-1-12(2-5-14)17(25)23-15-11-13(18(20,21)22)3-6-16(15)24-7-9-26-10-8-24/h1-6,11H,7-10H2,(H,23,25).
What are the key properties of 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 384.79 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2121780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).