1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea

C16H20F3N3O2 — CID 86802255

IUPAC1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H20F3N3O2/c1-3-6-21(2)15(23)20-13-11-12(16(17,18)19)4-5-14(13)22-7-9-24-10-8-22/h3-5,11H,1,6-10H2,2H3,(H,20,23)
InChIKeyUYWCLFHNASABTP-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.19
Rot. Bonds4

About 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea

1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea (PubChem CID 86802255) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea
PubChem CID86802255
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C16H20F3N3O2/c1-3-6-21(2)15(23)20-13-11-12(16(17,18)19)4-5-14(13)22-7-9-24-10-8-22/h3-5,11H,1,6-10H2,2H3,(H,20,23)
InChIKeyUYWCLFHNASABTP-UHFFFAOYSA-N
XLogP3.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 122073939
N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 851473
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea?
The IUPAC name of 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea (CID 86802255) is 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea?
The canonical SMILES for 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea is C=CCN(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea?
The InChIKey is UYWCLFHNASABTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-3-6-21(2)15(23)20-13-11-12(16(17,18)19)4-5-14(13)22-7-9-24-10-8-22/h3-5,11H,1,6-10H2,2H3,(H,20,23).
What are the key properties of 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea?
1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea has a molecular weight of 343.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-prop-2-enylurea is sourced from PubChem (CID 86802255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).