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

C23H18ClF3N2O2 — CID 134803328

IUPACN-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C23H18ClF3N2O2/c24-20-6-1-3-15(11-20)13-28-21(30)14-29-22(31)18-5-2-4-17(12-18)16-7-9-19(10-8-16)23(25,26)27/h1-12H,13-14H2,(H,28,30)(H,29,31)
InChIKeyHKCXTZQZHZBQNB-UHFFFAOYSA-N
MW446.86 g/mol
LogP5.07
Rot. Bonds6

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

N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 134803328) has the molecular formula C23H18ClF3N2O2 and a molecular weight of 446.86 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID134803328
Molecular FormulaC23H18ClF3N2O2
Molecular Weight446.86 g/mol
Exact Mass446.10
IUPAC NameN-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C23H18ClF3N2O2/c24-20-6-1-3-15(11-20)13-28-21(30)14-29-22(31)18-5-2-4-17(12-18)16-7-9-19(10-8-16)23(25,26)27/h1-12H,13-14H2,(H,28,30)(H,29,31)
InChIKeyHKCXTZQZHZBQNB-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.86
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide (CID 134803328) is N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide is O=C(CNC(=O)c1cccc(-c2ccc(C(F)(F)F)cc2)c1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HKCXTZQZHZBQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N2O2/c24-20-6-1-3-15(11-20)13-28-21(30)14-29-22(31)18-5-2-4-17(12-18)16-7-9-19(10-8-16)23(25,26)27/h1-12H,13-14H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 446.86 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134803328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).