3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea

C17H19FN2O2 — CID 86980273

IUPAC3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea
SMILESCN(CCCOc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H19FN2O2/c1-20(12-7-13-22-14-8-3-2-4-9-14)17(21)19-16-11-6-5-10-15(16)18/h2-6,8-11H,7,12-13H2,1H3,(H,19,21)
InChIKeyVWQUCOBMXKIACI-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.76
Rot. Bonds6

About 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea

3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea (PubChem CID 86980273) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea
PubChem CID86980273
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea
SMILESCN(CCCOc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H19FN2O2/c1-20(12-7-13-22-14-8-3-2-4-9-14)17(21)19-16-11-6-5-10-15(16)18/h2-6,8-11H,7,12-13H2,1H3,(H,19,21)
InChIKeyVWQUCOBMXKIACI-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
3-(2-cyano-4-fluorophenyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 78839739
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
1-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-1-methylthiourea
CID 9241386
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-1-methyl-1-(3-phenoxypropyl)urea
CID 112825655
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea (CID 86980273) is 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea is CN(CCCOc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea?
The InChIKey is VWQUCOBMXKIACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(12-7-13-22-14-8-3-2-4-9-14)17(21)19-16-11-6-5-10-15(16)18/h2-6,8-11H,7,12-13H2,1H3,(H,19,21).
What are the key properties of 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea?
3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea has a molecular weight of 302.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea is sourced from PubChem (CID 86980273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).