1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea

C13H18F2N2O3 — CID 111473727

IUPAC1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c1-9(5-6-18)8-16-13(19)17-10-3-2-4-11(7-10)20-12(14)15/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,16,17,19)
InChIKeyDEZNUHDVIMXHRS-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.43
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111473727) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111473727
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C13H18F2N2O3/c1-9(5-6-18)8-16-13(19)17-10-3-2-4-11(7-10)20-12(14)15/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,16,17,19)
InChIKeyDEZNUHDVIMXHRS-UHFFFAOYSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)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

1-(4-hydroxy-2-methylbutyl)-3-(3-prop-2-ynoxyphenyl)urea
CID 111474745
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473952
1-[4-(3-fluorophenoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473971
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
1-[2-(3-fluorophenoxy)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508454
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(3-prop-2-ynoxyphenyl)urea
CID 111521167
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473970
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111473727) is 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is DEZNUHDVIMXHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-9(5-6-18)8-16-13(19)17-10-3-2-4-11(7-10)20-12(14)15/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 288.29 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111473727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).