3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea

C21H25FN2O2 — CID 118761000

IUPAC3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
SMILESCN(CCCC1CCCO1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C21H25FN2O2/c1-24(13-3-7-20-8-4-14-26-20)21(25)23-19-11-9-16(10-12-19)17-5-2-6-18(22)15-17/h2,5-6,9-12,15,20H,3-4,7-8,13-14H2,1H3,(H,23,25)
InChIKeyVOOJQIUSRUUPLY-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.92
Rot. Bonds6

About 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea

3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea (PubChem CID 118761000) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
PubChem CID118761000
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
SMILESCN(CCCC1CCCO1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C21H25FN2O2/c1-24(13-3-7-20-8-4-14-26-20)21(25)23-19-11-9-16(10-12-19)17-5-2-6-18(22)15-17/h2,5-6,9-12,15,20H,3-4,7-8,13-14H2,1H3,(H,23,25)
InChIKeyVOOJQIUSRUUPLY-UHFFFAOYSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 118767228
3-(1,3-benzodioxol-5-yl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125167071
3-(3-benzylphenyl)-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125154893
1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]-3-(2-phenyl-1,3-benzoxazol-5-yl)urea
CID 97436331
3-[3-(2-ethyltetrazol-5-yl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea
CID 72922904
2-chloro-N-methyl-5-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]carbamoyl]amino]benzamide
CID 125170840
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 125160875
3-[2-(4-methoxyphenyl)phenyl]-1-methyl-1-[3-[(2S)-oxolan-2-yl]propyl]urea
CID 125160872
3-[4-(difluoromethoxy)phenyl]-1-methyl-1-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 125165120
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
The IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea (CID 118761000) is 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea.
What is the SMILES notation for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
The canonical SMILES for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea is CN(CCCC1CCCO1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
The InChIKey is VOOJQIUSRUUPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-24(13-3-7-20-8-4-14-26-20)21(25)23-19-11-9-16(10-12-19)17-5-2-6-18(22)15-17/h2,5-6,9-12,15,20H,3-4,7-8,13-14H2,1H3,(H,23,25).
What are the key properties of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea?
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea has a molecular weight of 356.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[3-(oxolan-2-yl)propyl]urea is sourced from PubChem (CID 118761000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).