N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide

C19H20F3N3O2 — CID 119677901

IUPACN-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C1CNCCO1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-6-7-15(24-11-13-4-2-1-3-5-13)16(10-14)25-18(26)17-12-23-8-9-27-17/h1-7,10,17,23-24H,8-9,11-12H2,(H,25,26)
InChIKeyJYCYYJIOUHDTBY-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide

N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide (PubChem CID 119677901) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
PubChem CID119677901
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C1CNCCO1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-6-7-15(24-11-13-4-2-1-3-5-13)16(10-14)25-18(26)17-12-23-8-9-27-17/h1-7,10,17,23-24H,8-9,11-12H2,(H,25,26)
InChIKeyJYCYYJIOUHDTBY-UHFFFAOYSA-N
XLogP3.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119677904
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820
N-[2-(2,2,2-trifluoroethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119801569
N-(2,4,5-trifluorophenyl)morpholine-2-carboxamide
CID 62816271
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723841
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
N-[3-(tert-butylsulfinylmethyl)phenyl]morpholine-2-carboxamide
CID 119790021
2-methyl-2-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 80549799
N-(2-bromo-4-chlorophenyl)morpholine-2-carboxamide
CID 81263696
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-[2-[(2-methylpropan-2-yl)oxy]phenyl]morpholine-2-carboxamide;hydrochloride
CID 119792290

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide (CID 119677901) is N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)C1CNCCO1.
What is the InChIKey of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
The InChIKey is JYCYYJIOUHDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)14-6-7-15(24-11-13-4-2-1-3-5-13)16(10-14)25-18(26)17-12-23-8-9-27-17/h1-7,10,17,23-24H,8-9,11-12H2,(H,25,26).
What are the key properties of N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide?
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119677901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).