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

C16H12Cl2F3NO — CID 26594295

IUPAC2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F3NO/c17-13-3-1-2-12(14(13)18)15(23)22-9-8-10-4-6-11(7-5-10)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyOIVIYRXGNGYWKX-UHFFFAOYSA-N
MW362.18 g/mol
LogP4.98
Rot. Bonds4

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

2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 26594295) has the molecular formula C16H12Cl2F3NO and a molecular weight of 362.18 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID26594295
Molecular FormulaC16H12Cl2F3NO
Molecular Weight362.18 g/mol
Exact Mass361.02
IUPAC Name2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F3NO/c17-13-3-1-2-12(14(13)18)15(23)22-9-8-10-4-6-11(7-5-10)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyOIVIYRXGNGYWKX-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111295818
2-iodo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594284
2-chloro-N-[3-methyl-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]butan-2-yl]benzamide
CID 55328923
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354874
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 26594295) is 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is OIVIYRXGNGYWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO/c17-13-3-1-2-12(14(13)18)15(23)22-9-8-10-4-6-11(7-5-10)16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 362.18 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 26594295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).