1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

C13H16F3N3O2 — CID 61315356

IUPAC1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CNCCO1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-1-3-10(6-9)19-12(20)18-8-11-7-17-4-5-21-11/h1-3,6,11,17H,4-5,7-8H2,(H2,18,19,20)
InChIKeyGQBSSLXFPXQBHA-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.82
Rot. Bonds3

About 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 61315356) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID61315356
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC1CNCCO1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-1-3-10(6-9)19-12(20)18-8-11-7-17-4-5-21-11/h1-3,6,11,17H,4-5,7-8H2,(H2,18,19,20)
InChIKeyGQBSSLXFPXQBHA-UHFFFAOYSA-N
XLogP1.82
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
1-(2-cyclopropyl-1,3-dioxoisoindol-5-yl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
CID 154901402
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
1-[[(2R)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 883340
2-morpholin-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686331
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[[(2R)-morpholin-2-yl]methyl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126439822
2-[(2R)-morpholin-2-yl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 99936481
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 61315356) is 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCC1CNCCO1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is GQBSSLXFPXQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)9-2-1-3-10(6-9)19-12(20)18-8-11-7-17-4-5-21-11/h1-3,6,11,17H,4-5,7-8H2,(H2,18,19,20).
What are the key properties of 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 303.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 61315356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).