1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea

C14H21FN2O2 — CID 110893315

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-9(2)10(3)17-14(19)16-8-13(18)11-4-6-12(15)7-5-11/h4-7,9-10,13,18H,8H2,1-3H3,(H2,16,17,19)
InChIKeyXNCGBOSERUVRLO-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea (PubChem CID 110893315) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
PubChem CID110893315
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)NC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-9(2)10(3)17-14(19)16-8-13(18)11-4-6-12(15)7-5-11/h4-7,9-10,13,18H,8H2,1-3H3,(H2,16,17,19)
InChIKeyXNCGBOSERUVRLO-UHFFFAOYSA-N
XLogP2.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
2,2-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 100764025
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
CID 87016886
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111833784
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482920
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 110895448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea (CID 110893315) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea is CC(C)C(C)NC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea?
The InChIKey is XNCGBOSERUVRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)10(3)17-14(19)16-8-13(18)11-4-6-12(15)7-5-11/h4-7,9-10,13,18H,8H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea has a molecular weight of 268.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 110893315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).