2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide

C23H18Cl2F3N3O2 — CID 5000585

IUPAC2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2F3N3O2/c24-16-9-10-19(20(25)14-16)21(32)29-11-12-31(18-7-2-1-3-8-18)22(33)30-17-6-4-5-15(13-17)23(26,27)28/h1-10,13-14H,11-12H2,(H,29,32)(H,30,33)
InChIKeyZJUPUMFXIXCKFH-UHFFFAOYSA-N
MW496.32 g/mol
LogP6.48
Rot. Bonds6

About 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide

2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide (PubChem CID 5000585) has the molecular formula C23H18Cl2F3N3O2 and a molecular weight of 496.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
PubChem CID5000585
Molecular FormulaC23H18Cl2F3N3O2
Molecular Weight496.32 g/mol
Exact Mass495.07
IUPAC Name2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2F3N3O2/c24-16-9-10-19(20(25)14-16)21(32)29-11-12-31(18-7-2-1-3-8-18)22(33)30-17-6-4-5-15(13-17)23(26,27)28/h1-10,13-14H,11-12H2,(H,29,32)(H,30,33)
InChIKeyZJUPUMFXIXCKFH-UHFFFAOYSA-N
XLogP6.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.32
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 42703609
2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726419
3-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42705762
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
1-[2-(benzylcarbamoylamino)ethyl]-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42706874
2-chloro-N-[3-[N-[(3-chlorophenyl)carbamoyl]-4-fluoroanilino]propyl]benzamide
CID 42702736
3-(3-methylphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 3505137
3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42657196

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide (CID 5000585) is 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide is O=C(NCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The InChIKey is ZJUPUMFXIXCKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F3N3O2/c24-16-9-10-19(20(25)14-16)21(32)29-11-12-31(18-7-2-1-3-8-18)22(33)30-17-6-4-5-15(13-17)23(26,27)28/h1-10,13-14H,11-12H2,(H,29,32)(H,30,33).
What are the key properties of 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide has a molecular weight of 496.32 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide is sourced from PubChem (CID 5000585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).