3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea

C14H21F2N3O2 — CID 119074352

IUPAC3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)CCN(CCO)C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C14H21F2N3O2/c1-18(2)6-7-19(8-9-20)14(21)17-10-11-4-3-5-12(15)13(11)16/h3-5,20H,6-10H2,1-2H3,(H,17,21)
InChIKeyGNULJRDMFSJVKD-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.03
Rot. Bonds7

About 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea

3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea (PubChem CID 119074352) has the molecular formula C14H21F2N3O2 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea
PubChem CID119074352
Molecular FormulaC14H21F2N3O2
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)CCN(CCO)C(=O)NCc1cccc(F)c1F
InChIInChI=1S/C14H21F2N3O2/c1-18(2)6-7-19(8-9-20)14(21)17-10-11-4-3-5-12(15)13(11)16/h3-5,20H,6-10H2,1-2H3,(H,17,21)
InChIKeyGNULJRDMFSJVKD-UHFFFAOYSA-N
XLogP1.03
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea (CID 119074352) is 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea is CN(C)CCN(CCO)C(=O)NCc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea?
The InChIKey is GNULJRDMFSJVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O2/c1-18(2)6-7-19(8-9-20)14(21)17-10-11-4-3-5-12(15)13(11)16/h3-5,20H,6-10H2,1-2H3,(H,17,21).
What are the key properties of 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea?
3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea has a molecular weight of 301.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 119074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).