1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea

C18H27FN2O2 — CID 91651956

IUPAC1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea
SMILESCC(C)C(Cc1ccc(F)cc1)NC(=O)NCC1CCC(O)C1
InChIInChI=1S/C18H27FN2O2/c1-12(2)17(10-13-3-6-15(19)7-4-13)21-18(23)20-11-14-5-8-16(22)9-14/h3-4,6-7,12,14,16-17,22H,5,8-11H2,1-2H3,(H2,20,21,23)
InChIKeyCKLJBLFWPKUXEF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.85
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea

1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea (PubChem CID 91651956) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea
PubChem CID91651956
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea
SMILESCC(C)C(Cc1ccc(F)cc1)NC(=O)NCC1CCC(O)C1
InChIInChI=1S/C18H27FN2O2/c1-12(2)17(10-13-3-6-15(19)7-4-13)21-18(23)20-11-14-5-8-16(22)9-14/h3-4,6-7,12,14,16-17,22H,5,8-11H2,1-2H3,(H2,20,21,23)
InChIKeyCKLJBLFWPKUXEF-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619079
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 95969358
(3R)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-hydroxypiperidine-1-carboxamide
CID 95969356
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95969362
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111503713
2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279828
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99843267
(3R)-N-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97012359
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1R)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]urea
CID 99858997
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea (CID 91651956) is 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea is CC(C)C(Cc1ccc(F)cc1)NC(=O)NCC1CCC(O)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea?
The InChIKey is CKLJBLFWPKUXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12(2)17(10-13-3-6-15(19)7-4-13)21-18(23)20-11-14-5-8-16(22)9-14/h3-4,6-7,12,14,16-17,22H,5,8-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea?
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea has a molecular weight of 322.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 91651956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).