1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea

C12H16F2N2O2 — CID 111474156

IUPAC1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
SMILESCC(CNC(=O)NCCO)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-8(7-16-12(18)15-4-5-17)10-3-2-9(13)6-11(10)14/h2-3,6,8,17H,4-5,7H2,1H3,(H2,15,16,18)
InChIKeyDRSMNIDECMSHGX-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.36
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea

1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea (PubChem CID 111474156) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
PubChem CID111474156
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea
SMILESCC(CNC(=O)NCCO)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-8(7-16-12(18)15-4-5-17)10-3-2-9(13)6-11(10)14/h2-3,6,8,17H,4-5,7H2,1H3,(H2,15,16,18)
InChIKeyDRSMNIDECMSHGX-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,4-difluorophenyl)propyl]butanamide;hydrochloride
CID 119780239
1-[2-(2,4-difluorophenyl)propyl]-2,3-dimethylguanidine
CID 86777925
N-[(2R)-2-(2,4-difluorophenyl)propyl]-2-(2-hydroxyphenoxy)acetamide
CID 97237658
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-butyl-3-[2-(2,4-difluorophenyl)propyl]-2-methylguanidine
CID 111761323
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 132971826
N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 100641141
(3S)-N-[(2S)-2-(2,4-difluorophenyl)propyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969197
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9368960
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea (CID 111474156) is 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea is CC(CNC(=O)NCCO)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea?
The InChIKey is DRSMNIDECMSHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8(7-16-12(18)15-4-5-17)10-3-2-9(13)6-11(10)14/h2-3,6,8,17H,4-5,7H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea?
1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea has a molecular weight of 258.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)propyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111474156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).