1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea

C16H22F2N2O2 — CID 109491044

IUPAC1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(C)(O)c1ccc(F)cc1F)C1CCC1
InChIInChI=1S/C16H22F2N2O2/c1-10(11-4-3-5-11)20-15(21)19-9-16(2,22)13-7-6-12(17)8-14(13)18/h6-8,10-11,22H,3-5,9H2,1-2H3,(H2,19,20,21)
InChIKeyKUJIQPUHMHQWMN-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.66
Rot. Bonds5

About 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea

1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea (PubChem CID 109491044) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
PubChem CID109491044
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(C)(O)c1ccc(F)cc1F)C1CCC1
InChIInChI=1S/C16H22F2N2O2/c1-10(11-4-3-5-11)20-15(21)19-9-16(2,22)13-7-6-12(17)8-14(13)18/h6-8,10-11,22H,3-5,9H2,1-2H3,(H2,19,20,21)
InChIKeyKUJIQPUHMHQWMN-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 111334647
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111334569
1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 109499928
(2R)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 100861022
(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 96525138
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea (CID 109491044) is 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea is CC(NC(=O)NCC(C)(O)c1ccc(F)cc1F)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea?
The InChIKey is KUJIQPUHMHQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10(11-4-3-5-11)20-15(21)19-9-16(2,22)13-7-6-12(17)8-14(13)18/h6-8,10-11,22H,3-5,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea?
1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea has a molecular weight of 312.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-[2-(2,4-difluorophenyl)-2-hydroxypropyl]urea is sourced from PubChem (CID 109491044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).