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

C23H19ClF3N3O2 — CID 42702821

IUPAC4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClF3N3O2/c24-18-11-9-16(10-12-18)21(31)28-13-14-30(20-7-2-1-3-8-20)22(32)29-19-6-4-5-17(15-19)23(25,26)27/h1-12,15H,13-14H2,(H,28,31)(H,29,32)
InChIKeyCAJNRVJQJDLRGD-UHFFFAOYSA-N
MW461.87 g/mol
LogP5.83
Rot. Bonds6

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

4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide (PubChem CID 42702821) has the molecular formula C23H19ClF3N3O2 and a molecular weight of 461.87 g/mol. Its IUPAC name is 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
PubChem CID42702821
Molecular FormulaC23H19ClF3N3O2
Molecular Weight461.87 g/mol
Exact Mass461.11
IUPAC Name4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
SMILESO=C(NCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClF3N3O2/c24-18-11-9-16(10-12-18)21(31)28-13-14-30(20-7-2-1-3-8-20)22(32)29-19-6-4-5-17(15-19)23(25,26)27/h1-12,15H,13-14H2,(H,28,31)(H,29,32)
InChIKeyCAJNRVJQJDLRGD-UHFFFAOYSA-N
XLogP5.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.87
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 5000585
3-bromo-N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]benzamide
CID 42700426
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 42703609
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
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
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 42700455
1-[2-(benzylcarbamoylamino)ethyl]-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42706874
N-[2-[4-fluoro-N-[(3-methoxyphenyl)carbamoyl]anilino]ethyl]-3-(trifluoromethyl)benzamide
CID 3919303
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide (CID 42702821) is 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The canonical SMILES for 4-chloro-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)cc1.
What is the InChIKey of 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The InChIKey is CAJNRVJQJDLRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O2/c24-18-11-9-16(10-12-18)21(31)28-13-14-30(20-7-2-1-3-8-20)22(32)29-19-6-4-5-17(15-19)23(25,26)27/h1-12,15H,13-14H2,(H,28,31)(H,29,32).
What are the key properties of 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide has a molecular weight of 461.87 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide is sourced from PubChem (CID 42702821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).