1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea

C10H11F3N2O — CID 115575822

IUPAC1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-6-3-4-7(15-9(16)14-2)5-8(6)10(11,12)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyZYDGMRQZHPGVKH-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.77
Rot. Bonds1

About 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea

1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea (PubChem CID 115575822) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
PubChem CID115575822
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O/c1-6-3-4-7(15-9(16)14-2)5-8(6)10(11,12)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyZYDGMRQZHPGVKH-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
1-(3-hydroxypropanoylamino)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 75457843
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
N-[4-[4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrol-2-yl]acetamide
CID 141148217
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 62381123
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea (CID 115575822) is 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea is CNC(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZYDGMRQZHPGVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-3-4-7(15-9(16)14-2)5-8(6)10(11,12)13/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea?
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea has a molecular weight of 232.20 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 115575822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).