1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea

C15H15F3N2O3 — CID 97106421

IUPAC1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)11-1-3-12(4-2-11)20-14(22)19-7-5-13(21)10-6-8-23-9-10/h1-4,6,8-9,13,21H,5,7H2,(H2,19,20,22)/t13-/m1/s1
InChIKeyBTSOPFRLAPRJCR-CYBMUJFWSA-N
MW328.29 g/mol
LogP3.54
Rot. Bonds5

About 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 97106421) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID97106421
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)11-1-3-12(4-2-11)20-14(22)19-7-5-13(21)10-6-8-23-9-10/h1-4,6,8-9,13,21H,5,7H2,(H2,19,20,22)/t13-/m1/s1
InChIKeyBTSOPFRLAPRJCR-CYBMUJFWSA-N
XLogP3.54
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95986802
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
1-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95980208
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106407
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 97106421) is 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NCC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is BTSOPFRLAPRJCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)11-1-3-12(4-2-11)20-14(22)19-7-5-13(21)10-6-8-23-9-10/h1-4,6,8-9,13,21H,5,7H2,(H2,19,20,22)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 328.29 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 97106421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).