1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea

C16H23FN2O2 — CID 111337411

IUPAC1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C16H23FN2O2/c1-11(20)9-10-18-16(21)19-15(12-3-2-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15,20H,2-4,9-10H2,1H3,(H2,18,19,21)
InChIKeyWRSOWCBIESBCCN-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.74
Rot. Bonds6

About 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea

1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea (PubChem CID 111337411) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
PubChem CID111337411
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C16H23FN2O2/c1-11(20)9-10-18-16(21)19-15(12-3-2-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15,20H,2-4,9-10H2,1H3,(H2,18,19,21)
InChIKeyWRSOWCBIESBCCN-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438682
1-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 95977808
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338532
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119775061
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 95573065
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea (CID 111337411) is 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC(c1ccc(F)cc1)C1CCC1.
What is the InChIKey of 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea?
The InChIKey is WRSOWCBIESBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(20)9-10-18-16(21)19-15(12-3-2-4-12)13-5-7-14(17)8-6-13/h5-8,11-12,15,20H,2-4,9-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea?
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea has a molecular weight of 294.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).