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

C15H23FN2O2 — CID 111455422

IUPAC1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-11(10-19)12(2)18-15(20)17-8-4-6-13-5-3-7-14(16)9-13/h3,5,7,9,11-12,19H,4,6,8,10H2,1-2H3,(H2,17,18,20)
InChIKeyIRCZJBRXYGEWND-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.07
Rot. Bonds7

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

1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111455422) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111455422
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C15H23FN2O2/c1-11(10-19)12(2)18-15(20)17-8-4-6-13-5-3-7-14(16)9-13/h3,5,7,9,11-12,19H,4,6,8,10H2,1-2H3,(H2,17,18,20)
InChIKeyIRCZJBRXYGEWND-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
CID 75495361
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111455373
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
1-[3-(3-fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111455422) is 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea is CC(CO)C(C)NC(=O)NCCCc1cccc(F)c1.
What is the InChIKey of 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is IRCZJBRXYGEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(10-19)12(2)18-15(20)17-8-4-6-13-5-3-7-14(16)9-13/h3,5,7,9,11-12,19H,4,6,8,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 282.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111455422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).