1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea

C17H17F3N2O2 — CID 4598212

IUPAC1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCCC(NC(=O)Nc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H17F3N2O2/c1-2-13(12-8-4-3-5-9-12)21-16(23)22-14-10-6-7-11-15(14)24-17(18,19)20/h3-11,13H,2H2,1H3,(H2,21,22,23)
InChIKeyVRYDXSVRPQQZJA-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.86
Rot. Bonds5

About 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea

1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 4598212) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID4598212
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCCC(NC(=O)Nc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C17H17F3N2O2/c1-2-13(12-8-4-3-5-9-12)21-16(23)22-14-10-6-7-11-15(14)24-17(18,19)20/h3-11,13H,2H2,1H3,(H2,21,22,23)
InChIKeyVRYDXSVRPQQZJA-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895833
tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[[2-(trifluoromethoxy)phenyl]carbamoylamino]propanoate
CID 3749519
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
4-[[2-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 61185657

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea (CID 4598212) is 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea is CCC(NC(=O)Nc1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is VRYDXSVRPQQZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-13(12-8-4-3-5-9-12)21-16(23)22-14-10-6-7-11-15(14)24-17(18,19)20/h3-11,13H,2H2,1H3,(H2,21,22,23).
What are the key properties of 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea?
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 4598212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).