[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea

C13H14F3N3O3 — CID 154061732

IUPAC[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)9-5-8(6-10(7-9)18-12(17)21)11(20)19-1-3-22-4-2-19/h5-7H,1-4H2,(H3,17,18,21)
InChIKeyYRZJNAKJAZJWQY-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.67
Rot. Bonds2

About [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea

[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea (PubChem CID 154061732) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea
PubChem CID154061732
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O3/c14-13(15,16)9-5-8(6-10(7-9)18-12(17)21)11(20)19-1-3-22-4-2-19/h5-7H,1-4H2,(H3,17,18,21)
InChIKeyYRZJNAKJAZJWQY-UHFFFAOYSA-N
XLogP1.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
[3-[[[2-(1-aminoethyl)-1,3-thiazol-5-yl]-hydroxymethyl]amino]-5-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 129211868
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
4-[3-acetamido-5-(trifluoromethyl)benzoyl]morpholine-3-carboxylic acid
CID 120521872
3-(pyrrolidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 61235682
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119646337
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120817279
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 120807147
4-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide
CID 18416442

Frequently Asked Questions

What is the IUPAC name of [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea (CID 154061732) is [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea is NC(=O)Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea?
The InChIKey is YRZJNAKJAZJWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c14-13(15,16)9-5-8(6-10(7-9)18-12(17)21)11(20)19-1-3-22-4-2-19/h5-7H,1-4H2,(H3,17,18,21).
What are the key properties of [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea?
[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 317.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 154061732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).