1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea

C17H18F2N2O2 — CID 111452505

IUPAC1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)NCC(O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-10-6-7-11(2)14(8-10)21-17(23)20-9-15(22)16-12(18)4-3-5-13(16)19/h3-8,15,22H,9H2,1-2H3,(H2,20,21,23)
InChIKeyZRTLUCULXCYLFO-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea (PubChem CID 111452505) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
PubChem CID111452505
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)NCC(O)c2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-10-6-7-11(2)14(8-10)21-17(23)20-9-15(22)16-12(18)4-3-5-13(16)19/h3-8,15,22H,9H2,1-2H3,(H2,20,21,23)
InChIKeyZRTLUCULXCYLFO-UHFFFAOYSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)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-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[3-(methoxymethyl)phenyl]urea
CID 111453013
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea (CID 111452505) is 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)NCC(O)c2c(F)cccc2F)c1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
The InChIKey is ZRTLUCULXCYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-10-6-7-11(2)14(8-10)21-17(23)20-9-15(22)16-12(18)4-3-5-13(16)19/h3-8,15,22H,9H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea has a molecular weight of 320.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 111452505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).