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

C9H9F3N2O — CID 60704273

IUPAC[4-methyl-3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(NC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-5-2-3-6(14-8(13)15)4-7(5)9(10,11)12/h2-4H,1H3,(H3,13,14,15)
InChIKeyNWCLNFGNBGWDOL-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.50
Rot. Bonds1

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

[4-methyl-3-(trifluoromethyl)phenyl]urea (PubChem CID 60704273) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is [4-methyl-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[4-methyl-3-(trifluoromethyl)phenyl]urea
PubChem CID60704273
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name[4-methyl-3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(NC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-5-2-3-6(14-8(13)15)4-7(5)9(10,11)12/h2-4H,1H3,(H3,13,14,15)
InChIKeyNWCLNFGNBGWDOL-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 62381123
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
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-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of [4-methyl-3-(trifluoromethyl)phenyl]urea (CID 60704273) is [4-methyl-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [4-methyl-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [4-methyl-3-(trifluoromethyl)phenyl]urea is Cc1ccc(NC(N)=O)cc1C(F)(F)F.
What is the InChIKey of [4-methyl-3-(trifluoromethyl)phenyl]urea?
The InChIKey is NWCLNFGNBGWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5-2-3-6(14-8(13)15)4-7(5)9(10,11)12/h2-4H,1H3,(H3,13,14,15).
What are the key properties of [4-methyl-3-(trifluoromethyl)phenyl]urea?
[4-methyl-3-(trifluoromethyl)phenyl]urea has a molecular weight of 218.18 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 60704273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).