N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide

C17H16ClF3N3O2+ — CID 9490096

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(N2CCOCC2)cc[nH+]1
InChIInChI=1S/C17H15ClF3N3O2/c18-13-9-11(17(19,20)21)1-2-14(13)23-16(25)15-10-12(3-4-22-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,23,25)/p+1
InChIKeyPNWXHDNQIDIGTR-UHFFFAOYSA-O
MW386.78 g/mol
LogP3.26
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide (PubChem CID 9490096) has the molecular formula C17H16ClF3N3O2+ and a molecular weight of 386.78 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
PubChem CID9490096
Molecular FormulaC17H16ClF3N3O2+
Molecular Weight386.78 g/mol
Exact Mass386.09
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(N2CCOCC2)cc[nH+]1
InChIInChI=1S/C17H15ClF3N3O2/c18-13-9-11(17(19,20)21)1-2-14(13)23-16(25)15-10-12(3-4-22-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,23,25)/p+1
InChIKeyPNWXHDNQIDIGTR-UHFFFAOYSA-O
XLogP3.26
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
CID 139521363
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
N-[4-chloro-2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]oxane-4-carboxamide
CID 139512712
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide (CID 9490096) is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(N2CCOCC2)cc[nH+]1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
The InChIKey is PNWXHDNQIDIGTR-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-13-9-11(17(19,20)21)1-2-14(13)23-16(25)15-10-12(3-4-22-15)24-5-7-26-8-6-24/h1-4,9-10H,5-8H2,(H,23,25)/p+1.
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide has a molecular weight of 386.78 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-morpholin-4-ylpyridin-1-ium-2-carboxamide is sourced from PubChem (CID 9490096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).