3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

C17H25FN2O3 — CID 111969771

IUPAC3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1ccc(F)cc1OCC1CC1)C(C)C
InChIInChI=1S/C17H25FN2O3/c1-11(2)20(9-12(3)21)17(22)19-15-7-6-14(18)8-16(15)23-10-13-4-5-13/h6-8,11-13,21H,4-5,9-10H2,1-3H3,(H,19,22)
InChIKeyAGYDGVOILJGLDU-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.24
Rot. Bonds7

About 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 111969771) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID111969771
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1ccc(F)cc1OCC1CC1)C(C)C
InChIInChI=1S/C17H25FN2O3/c1-11(2)20(9-12(3)21)17(22)19-15-7-6-14(18)8-16(15)23-10-13-4-5-13/h6-8,11-13,21H,4-5,9-10H2,1-3H3,(H,19,22)
InChIKeyAGYDGVOILJGLDU-UHFFFAOYSA-N
XLogP3.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea 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-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 111453687
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111112642
3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969732
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111453694
methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
CID 117388561
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888697
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 111969771) is 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)Nc1ccc(F)cc1OCC1CC1)C(C)C.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is AGYDGVOILJGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)20(9-12(3)21)17(22)19-15-7-6-14(18)8-16(15)23-10-13-4-5-13/h6-8,11-13,21H,4-5,9-10H2,1-3H3,(H,19,22).
What are the key properties of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 324.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 111969771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).