1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea

C17H19FN2O — CID 54774133

IUPAC1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea
SMILESCCC(c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-3-16(13-9-11-14(18)12-10-13)20(2)17(21)19-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3,(H,19,21)
InChIKeyOVVOXTALWVHMMJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.44
Rot. Bonds4

About 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea

1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea (PubChem CID 54774133) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea
PubChem CID54774133
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea
SMILESCCC(c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-3-16(13-9-11-14(18)12-10-13)20(2)17(21)19-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3,(H,19,21)
InChIKeyOVVOXTALWVHMMJ-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
1-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-1-methylurea
CID 52662031
2-[N-[1-(4-fluorophenyl)propyl]anilino]acetic acid
CID 65059146
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
3-[4-(4-fluorophenoxy)phenyl]-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
CID 10949261
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
3-(3,5-difluorophenyl)-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 96542792

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea?
The IUPAC name of 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea (CID 54774133) is 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea is CCC(c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea?
The InChIKey is OVVOXTALWVHMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-16(13-9-11-14(18)12-10-13)20(2)17(21)19-15-7-5-4-6-8-15/h4-12,16H,3H2,1-2H3,(H,19,21).
What are the key properties of 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea?
1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea has a molecular weight of 286.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propyl]-1-methyl-3-phenylurea is sourced from PubChem (CID 54774133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).