1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea

C15H21FN2O2 — CID 110469624

IUPAC1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea
SMILESCC(C)(CO)CNC(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-14(2,10-19)9-17-13(20)18-15(7-8-15)11-3-5-12(16)6-4-11/h3-6,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyGFJMCYREJNCKBJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.13
Rot. Bonds5

About 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea

1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea (PubChem CID 110469624) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea
PubChem CID110469624
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea
SMILESCC(C)(CO)CNC(=O)NC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-14(2,10-19)9-17-13(20)18-15(7-8-15)11-3-5-12(16)6-4-11/h3-6,19H,7-10H2,1-2H3,(H2,17,18,20)
InChIKeyGFJMCYREJNCKBJ-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504896
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
1-[1-(4-fluorophenyl)cyclobutyl]-3-prop-2-enylurea
CID 110469873
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505638
(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478088
N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 91550957
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea (CID 110469624) is 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea is CC(C)(CO)CNC(=O)NC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea?
The InChIKey is GFJMCYREJNCKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-14(2,10-19)9-17-13(20)18-15(7-8-15)11-3-5-12(16)6-4-11/h3-6,19H,7-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea?
1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea has a molecular weight of 280.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclopropyl]-3-(3-hydroxy-2,2-dimethylpropyl)urea is sourced from PubChem (CID 110469624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).