3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea

C14H19FN2O3 — CID 111453687

IUPAC3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C14H19FN2O3/c1-17(6-7-18)14(19)16-12-5-4-11(15)8-13(12)20-9-10-2-3-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,16,19)
InChIKeyGRJNTMJDNMLREU-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.07
Rot. Bonds6

About 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea

3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111453687) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111453687
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(F)cc1OCC1CC1
InChIInChI=1S/C14H19FN2O3/c1-17(6-7-18)14(19)16-12-5-4-11(15)8-13(12)20-9-10-2-3-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,16,19)
InChIKeyGRJNTMJDNMLREU-UHFFFAOYSA-N
XLogP2.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969771
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
3-[[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl-methylamino]propanoic acid
CID 122088326
1-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111453694
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
3-(2-ethoxy-4-fluorophenyl)-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87009878
3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431097
(E)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-3-(1H-imidazol-2-yl)prop-2-enamide
CID 166241281
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 75512190

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea (CID 111453687) is 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)Nc1ccc(F)cc1OCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is GRJNTMJDNMLREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-17(6-7-18)14(19)16-12-5-4-11(15)8-13(12)20-9-10-2-3-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,16,19).
What are the key properties of 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 282.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111453687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).