1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea

C12H16F2N2O3 — CID 110894255

IUPAC1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
SMILESCC(NC(=O)NCCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H16F2N2O3/c1-8(16-12(18)15-5-6-17)9-3-2-4-10(7-9)19-11(13)14/h2-4,7-8,11,17H,5-6H2,1H3,(H2,15,16,18)
InChIKeyREHXEOMPYMFZPG-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.64
Rot. Bonds6

About 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea

1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894255) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
PubChem CID110894255
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
SMILESCC(NC(=O)NCCO)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H16F2N2O3/c1-8(16-12(18)15-5-6-17)9-3-2-4-10(7-9)19-11(13)14/h2-4,7-8,11,17H,5-6H2,1H3,(H2,15,16,18)
InChIKeyREHXEOMPYMFZPG-UHFFFAOYSA-N
XLogP1.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
N-[1-[3-(difluoromethoxy)phenyl]ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167924571

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea (CID 110894255) is 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea is CC(NC(=O)NCCO)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is REHXEOMPYMFZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-8(16-12(18)15-5-6-17)9-3-2-4-10(7-9)19-11(13)14/h2-4,7-8,11,17H,5-6H2,1H3,(H2,15,16,18).
What are the key properties of 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea?
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 274.27 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).