1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C18H25FN2O2 — CID 111506132

IUPAC1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-18(11-22)10-2-3-15(18)20-17(23)21-16(12-4-5-12)13-6-8-14(19)9-7-13/h6-9,12,15-16,22H,2-5,10-11H2,1H3,(H2,20,21,23)
InChIKeyXWOZQQLEEIGJFU-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.13
Rot. Bonds5

About 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111506132) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111506132
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H25FN2O2/c1-18(11-22)10-2-3-15(18)20-17(23)21-16(12-4-5-12)13-6-8-14(19)9-7-13/h6-9,12,15-16,22H,2-5,10-11H2,1H3,(H2,20,21,23)
InChIKeyXWOZQQLEEIGJFU-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorobenzyl)-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49670992
1-[1-(3-Fluorophenyl)cyclopropyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 71922249
1-[1-(2-Fluorophenyl)cyclopropyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 71972718
1-[Cyclopropyl-(2-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 84585481
1-Benzhydryl-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49678077
1-Cyclopropyl-3-[1-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 56791596
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864356
1-[2-(2,4-Difluorophenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71864836
1-[2-(3,4-Difluorophenyl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 71868149
1-[3-(3-Fluorophenyl)propyl]-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 71868285
3-[Cyclopentyl-(2-fluorophenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 71921363
1-[2-(4-Fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea
CID 71921523

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111506132) is 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is XWOZQQLEEIGJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(11-22)10-2-3-15(18)20-17(23)21-16(12-4-5-12)13-6-8-14(19)9-7-13/h6-9,12,15-16,22H,2-5,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 320.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111506132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).