N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride

C19H19ClF3N3O3 — CID 119775977

IUPACN-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(NC(=O)C2COCCN2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O3.ClH/c20-19(21,22)13-4-1-3-12(9-13)17(26)24-14-5-2-6-15(10-14)25-18(27)16-11-28-8-7-23-16;/h1-6,9-10,16,23H,7-8,11H2,(H,24,26)(H,25,27);1H
InChIKeyFEENFNNEKCADPN-UHFFFAOYSA-N
MW429.83 g/mol
LogP3.31
Rot. Bonds4

About N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride

N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119775977) has the molecular formula C19H19ClF3N3O3 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119775977
Molecular FormulaC19H19ClF3N3O3
Molecular Weight429.83 g/mol
Exact Mass429.11
IUPAC NameN-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(NC(=O)C2COCCN2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O3.ClH/c20-19(21,22)13-4-1-3-12(9-13)17(26)24-14-5-2-6-15(10-14)25-18(27)16-11-28-8-7-23-16;/h1-6,9-10,16,23H,7-8,11H2,(H,24,26)(H,25,27);1H
InChIKeyFEENFNNEKCADPN-UHFFFAOYSA-N
XLogP3.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119773679
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-3-carboxamide
CID 119712313
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119688772
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride (CID 119775977) is N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(NC(=O)C2COCCN2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is FEENFNNEKCADPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3.ClH/c20-19(21,22)13-4-1-3-12(9-13)17(26)24-14-5-2-6-15(10-14)25-18(27)16-11-28-8-7-23-16;/h1-6,9-10,16,23H,7-8,11H2,(H,24,26)(H,25,27);1H.
What are the key properties of N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 429.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119775977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).