1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea

C17H25FN2O2 — CID 109499900

IUPAC1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)NC(C)C1CCC1
InChIInChI=1S/C17H25FN2O2/c1-11(10-16(21)14-6-8-15(18)9-7-14)19-17(22)20-12(2)13-4-3-5-13/h6-9,11-13,16,21H,3-5,10H2,1-2H3,(H2,19,20,22)
InChIKeyQQPBWXKYPZCTFZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.13
Rot. Bonds6

About 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea

1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea (PubChem CID 109499900) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea
PubChem CID109499900
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea
SMILESCC(CC(O)c1ccc(F)cc1)NC(=O)NC(C)C1CCC1
InChIInChI=1S/C17H25FN2O2/c1-11(10-16(21)14-6-8-15(18)9-7-14)19-17(22)20-12(2)13-4-3-5-13/h6-9,11-13,16,21H,3-5,10H2,1-2H3,(H2,19,20,22)
InChIKeyQQPBWXKYPZCTFZ-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 71919597
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
(2S,5R)-5-(aminomethyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]oxolane-2-carboxamide
CID 120796670
1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one
CID 84595277
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpiperidine-2-carboxamide
CID 110027378
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000345
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
2-(4-aminophenyl)-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]acetamide;hydrochloride
CID 119822491
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
1-(1-cyclobutylethyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 109499744

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea (CID 109499900) is 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea is CC(CC(O)c1ccc(F)cc1)NC(=O)NC(C)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea?
The InChIKey is QQPBWXKYPZCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-11(10-16(21)14-6-8-15(18)9-7-14)19-17(22)20-12(2)13-4-3-5-13/h6-9,11-13,16,21H,3-5,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea?
1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea has a molecular weight of 308.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 109499900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).