1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea

C15H19F3N2O — CID 47031918

IUPAC1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC1CCCC(NC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-10-5-4-6-11(9-10)19-14(21)20-13-8-3-2-7-12(13)15(16,17)18/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,19,20,21)
InChIKeyQAHVBDFULGMSPH-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.41
Rot. Bonds2

About 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 47031918) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID47031918
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCC1CCCC(NC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H19F3N2O/c1-10-5-4-6-11(9-10)19-14(21)20-13-8-3-2-7-12(13)15(16,17)18/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,19,20,21)
InChIKeyQAHVBDFULGMSPH-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
CID 47031785
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
1-(4-oxocyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314248
1-[(1S,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 1461381
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
2-[acetyl(cyclopentyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159346
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
3,3,3-trifluoro-N-[3-[(3-methylcyclohexyl)carbamoylamino]-4-phenylphenyl]propanamide
CID 141480946
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 47031918) is 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea is CC1CCCC(NC(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is QAHVBDFULGMSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-5-4-6-11(9-10)19-14(21)20-13-8-3-2-7-12(13)15(16,17)18/h2-3,7-8,10-11H,4-6,9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 300.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 47031918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).