N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C20H19ClF4N2O2 — CID 60596930

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H19ClF4N2O2/c21-15-4-1-13(2-5-15)18(27-7-9-29-10-8-27)12-26-19(28)14-3-6-17(22)16(11-14)20(23,24)25/h1-6,11,18H,7-10,12H2,(H,26,28)
InChIKeyQJMRYUFGFKZVPN-UHFFFAOYSA-N
MW430.83 g/mol
LogP4.30
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 60596930) has the molecular formula C20H19ClF4N2O2 and a molecular weight of 430.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID60596930
Molecular FormulaC20H19ClF4N2O2
Molecular Weight430.83 g/mol
Exact Mass430.11
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C20H19ClF4N2O2/c21-15-4-1-13(2-5-15)18(27-7-9-29-10-8-27)12-26-19(28)14-3-6-17(22)16(11-14)20(23,24)25/h1-6,11,18H,7-10,12H2,(H,26,28)
InChIKeyQJMRYUFGFKZVPN-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 60615350
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
CID 60597091
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide
CID 46976011
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 59580023
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 60597261
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 60596930) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is QJMRYUFGFKZVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N2O2/c21-15-4-1-13(2-5-15)18(27-7-9-29-10-8-27)12-26-19(28)14-3-6-17(22)16(11-14)20(23,24)25/h1-6,11,18H,7-10,12H2,(H,26,28).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 430.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 60596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).