1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

C16H18F3N3O3 — CID 78875043

IUPAC1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C16H18F3N3O3/c1-22(2)12-6-5-10(16(17,18)19)8-11(12)21-15(24)20-9-13(23)14-4-3-7-25-14/h3-8,13,23H,9H2,1-2H3,(H2,20,21,24)
InChIKeyRNGVISQAGMHJNI-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea

1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (PubChem CID 78875043) has the molecular formula C16H18F3N3O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
PubChem CID78875043
Molecular FormulaC16H18F3N3O3
Molecular Weight357.33 g/mol
Exact Mass357.13
IUPAC Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C16H18F3N3O3/c1-22(2)12-6-5-10(16(17,18)19)8-11(12)21-15(24)20-9-13(23)14-4-3-7-25-14/h3-8,13,23H,9H2,1-2H3,(H2,20,21,24)
InChIKeyRNGVISQAGMHJNI-UHFFFAOYSA-N
XLogP3.22
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336804
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86847008
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
1-(4-fluoro-2-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78877901
methyl 4-fluoro-3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 78879195
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
1-(2-ethoxy-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 87006078
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 110891153
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea (CID 78875043) is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
The InChIKey is RNGVISQAGMHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3/c1-22(2)12-6-5-10(16(17,18)19)8-11(12)21-15(24)20-9-13(23)14-4-3-7-25-14/h3-8,13,23H,9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea?
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea has a molecular weight of 357.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea is sourced from PubChem (CID 78875043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).