1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea

C16H23FN2O2 — CID 111338460

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NC1CC1c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-10(2)15(20)9-18-16(21)19-14-8-12(14)11-6-4-5-7-13(11)17/h4-7,10,12,14-15,20H,3,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyONFDSAKYAFDECZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.39
Rot. Bonds6

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea

1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea (PubChem CID 111338460) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea
PubChem CID111338460
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NC1CC1c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-10(2)15(20)9-18-16(21)19-14-8-12(14)11-6-4-5-7-13(11)17/h4-7,10,12,14-15,20H,3,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyONFDSAKYAFDECZ-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111104265
1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435093
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
CID 86792722
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630928
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 95934166
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
1-(3-butoxypropyl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111238889
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527477
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111896762

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea (CID 111338460) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea is CCC(C)C(O)CNC(=O)NC1CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea?
The InChIKey is ONFDSAKYAFDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-10(2)15(20)9-18-16(21)19-14-8-12(14)11-6-4-5-7-13(11)17/h4-7,10,12,14-15,20H,3,8-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea?
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea has a molecular weight of 294.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea is sourced from PubChem (CID 111338460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).