1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea

C19H15F3N2O — CID 170254167

IUPAC1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cccc2c(NC(=O)Nc3cccc(C(F)(F)F)c3)cccc12
InChIInChI=1S/C19H15F3N2O/c1-12-5-2-9-16-15(12)8-4-10-17(16)24-18(25)23-14-7-3-6-13(11-14)19(20,21)22/h2-11H,1H3,(H2,23,24,25)
InChIKeyWQGNEGBHSZNSRS-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.81
Rot. Bonds2

About 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 170254167) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID170254167
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cccc2c(NC(=O)Nc3cccc(C(F)(F)F)c3)cccc12
InChIInChI=1S/C19H15F3N2O/c1-12-5-2-9-16-15(12)8-4-10-17(16)24-18(25)23-14-7-3-6-13(11-14)19(20,21)22/h2-11H,1H3,(H2,23,24,25)
InChIKeyWQGNEGBHSZNSRS-UHFFFAOYSA-N
XLogP5.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112973376
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 170254167) is 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea is Cc1cccc2c(NC(=O)Nc3cccc(C(F)(F)F)c3)cccc12.
What is the InChIKey of 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is WQGNEGBHSZNSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-12-5-2-9-16-15(12)8-4-10-17(16)24-18(25)23-14-7-3-6-13(11-14)19(20,21)22/h2-11H,1H3,(H2,23,24,25).
What are the key properties of 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 344.34 g/mol, XLogP of 5.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 170254167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).