1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea

C15H23FN2O2 — CID 47815623

IUPAC1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
SMILESCC(C)(C)C(CCO)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)13(8-9-19)18-14(20)17-10-11-4-6-12(16)7-5-11/h4-7,13,19H,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyGMXCVLZFJBQIOM-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.42
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea

1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea (PubChem CID 47815623) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
PubChem CID47815623
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
SMILESCC(C)(C)C(CCO)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-15(2,3)13(8-9-19)18-14(20)17-10-11-4-6-12(16)7-5-11/h4-7,13,19H,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyGMXCVLZFJBQIOM-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
2-(3,4-difluorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106353084
1-[(4-fluorophenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108867688
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
2-[(4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16788213
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[(4-cyanophenyl)methyl]-3-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]urea
CID 86941194
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea (CID 47815623) is 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea is CC(C)(C)C(CCO)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
The InChIKey is GMXCVLZFJBQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2,3)13(8-9-19)18-14(20)17-10-11-4-6-12(16)7-5-11/h4-7,13,19H,8-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea?
1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea has a molecular weight of 282.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea is sourced from PubChem (CID 47815623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).