N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide

C24H20ClF3N2O2 — CID 134802097

IUPACN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClF3N2O2/c25-21-10-4-16(5-11-21)12-13-29-22(31)15-30-23(32)19-3-1-2-18(14-19)17-6-8-20(9-7-17)24(26,27)28/h1-11,14H,12-13,15H2,(H,29,31)(H,30,32)
InChIKeyBMXYPNVMPJOIBM-UHFFFAOYSA-N
MW460.88 g/mol
LogP5.11
Rot. Bonds7

About N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide

N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 134802097) has the molecular formula C24H20ClF3N2O2 and a molecular weight of 460.88 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID134802097
Molecular FormulaC24H20ClF3N2O2
Molecular Weight460.88 g/mol
Exact Mass460.12
IUPAC NameN-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C24H20ClF3N2O2/c25-21-10-4-16(5-11-21)12-13-29-22(31)15-30-23(32)19-3-1-2-18(14-19)17-6-8-20(9-7-17)24(26,27)28/h1-11,14H,12-13,15H2,(H,29,31)(H,30,32)
InChIKeyBMXYPNVMPJOIBM-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide (CID 134802097) is N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide is O=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BMXYPNVMPJOIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2/c25-21-10-4-16(5-11-21)12-13-29-22(31)15-30-23(32)19-3-1-2-18(14-19)17-6-8-20(9-7-17)24(26,27)28/h1-11,14H,12-13,15H2,(H,29,31)(H,30,32).
What are the key properties of N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.88 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134802097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).