1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea

C14H17F3N2O2 — CID 95258347

IUPAC1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2/c1-2-19(8-9-4-3-7-21-9)14(20)18-11-6-5-10(15)12(16)13(11)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyWGHDOBJERXSLHJ-VIFPVBQESA-N
MW302.30 g/mol
LogP3.14
Rot. Bonds4

About 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea

1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 95258347) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID95258347
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESCCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2/c1-2-19(8-9-4-3-7-21-9)14(20)18-11-6-5-10(15)12(16)13(11)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyWGHDOBJERXSLHJ-VIFPVBQESA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113117440
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608
3-(3,5-difluoro-4-methoxyphenyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258787
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
2-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]sulfanylacetamide
CID 95310626
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
methyl-[[(2R)-oxan-2-yl]methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197476
methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8550006
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea (CID 95258347) is 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea is CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is WGHDOBJERXSLHJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-19(8-9-4-3-7-21-9)14(20)18-11-6-5-10(15)12(16)13(11)17/h5-6,9H,2-4,7-8H2,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea?
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 302.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 95258347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).