2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C16H12Cl2F3NO — CID 37354874

IUPAC2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12Cl2F3NO/c1-9(10-5-7-11(8-6-10)16(19,20)21)22-15(23)12-3-2-4-13(17)14(12)18/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyOWFXWHYPFVVEMV-SECBINFHSA-N
MW362.18 g/mol
LogP5.50
Rot. Bonds3

About 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 37354874) has the molecular formula C16H12Cl2F3NO and a molecular weight of 362.18 g/mol. Its IUPAC name is 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID37354874
Molecular FormulaC16H12Cl2F3NO
Molecular Weight362.18 g/mol
Exact Mass361.02
IUPAC Name2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12Cl2F3NO/c1-9(10-5-7-11(8-6-10)16(19,20)21)22-15(23)12-3-2-4-13(17)14(12)18/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyOWFXWHYPFVVEMV-SECBINFHSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.18
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
2,3-dichloro-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 55894518
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-fluoro-3-nitro-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 176877638
3-methyl-2-nitro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46597776
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195641
2,3-dichloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 26594295
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
N-[1-(4-acetylphenyl)ethyl]-2-chlorobenzamide
CID 123643461
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 37354874) is 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is OWFXWHYPFVVEMV-SECBINFHSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO/c1-9(10-5-7-11(8-6-10)16(19,20)21)22-15(23)12-3-2-4-13(17)14(12)18/h2-9H,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 362.18 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 37354874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).