1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea

C12H14F2N2O2 — CID 63237113

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(NCC(O)C1CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c13-8-3-4-10(9(14)5-8)16-12(18)15-6-11(17)7-1-2-7/h3-5,7,11,17H,1-2,6H2,(H2,15,16,18)
InChIKeyHAXACRUGJHZGQC-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.86
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea (PubChem CID 63237113) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
PubChem CID63237113
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(NCC(O)C1CC1)Nc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2/c13-8-3-4-10(9(14)5-8)16-12(18)15-6-11(17)7-1-2-7/h3-5,7,11,17H,1-2,6H2,(H2,15,16,18)
InChIKeyHAXACRUGJHZGQC-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-difluorophenyl)urea
CID 124922617
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-(2,4-difluorophenyl)-3-(furan-2-yl)urea
CID 108868619
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea (CID 63237113) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea is O=C(NCC(O)C1CC1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is HAXACRUGJHZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-8-3-4-10(9(14)5-8)16-12(18)15-6-11(17)7-1-2-7/h3-5,7,11,17H,1-2,6H2,(H2,15,16,18).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 256.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 63237113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).