3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea

C16H15ClF3N3O — CID 108989320

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
SMILESCN(CCc1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H15ClF3N3O/c1-23(9-6-11-4-7-21-8-5-11)15(24)22-14-10-12(16(18,19)20)2-3-13(14)17/h2-5,7-8,10H,6,9H2,1H3,(H,22,24)
InChIKeySKNNWVPTFJNFBC-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.46
Rot. Bonds4

About 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea

3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea (PubChem CID 108989320) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
PubChem CID108989320
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
SMILESCN(CCc1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H15ClF3N3O/c1-23(9-6-11-4-7-21-8-5-11)15(24)22-14-10-12(16(18,19)20)2-3-13(14)17/h2-5,7-8,10H,6,9H2,1H3,(H,22,24)
InChIKeySKNNWVPTFJNFBC-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985634
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)propanediamide
CID 108947865
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985659
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 23094990
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
3-[methyl-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]amino]propanoic acid
CID 66477759
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
N-(2,5-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 75439020

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea (CID 108989320) is 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea is CN(CCc1ccncc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea?
The InChIKey is SKNNWVPTFJNFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-23(9-6-11-4-7-21-8-5-11)15(24)22-14-10-12(16(18,19)20)2-3-13(14)17/h2-5,7-8,10H,6,9H2,1H3,(H,22,24).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea?
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea has a molecular weight of 357.76 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 108989320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).