1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea

C14H10ClF3N2O — CID 108892469

IUPAC1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF3N2O/c1-7-2-3-8(15)6-11(7)20-14(21)19-10-5-4-9(16)12(17)13(10)18/h2-6H,1H3,(H2,19,20,21)
InChIKeyMTRNYBDLGRUPLK-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.71
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea

1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108892469) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108892469
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF3N2O/c1-7-2-3-8(15)6-11(7)20-14(21)19-10-5-4-9(16)12(17)13(10)18/h2-6H,1H3,(H2,19,20,21)
InChIKeyMTRNYBDLGRUPLK-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
N-(5-chloro-2-methylphenyl)-2-(2,3-difluoroanilino)acetamide
CID 61075932

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea (CID 108892469) is 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea is Cc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is MTRNYBDLGRUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-7-2-3-8(15)6-11(7)20-14(21)19-10-5-4-9(16)12(17)13(10)18/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea?
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 314.69 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).