2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

C15H10Cl2F3NO — CID 142643393

IUPAC2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2F3NO/c16-10-7-4-8-11(17)12(10)14(22)21-13(15(18,19)20)9-5-2-1-3-6-9/h1-8,13H,(H,21,22)
InChIKeyTZCDAFPLSOOXLY-UHFFFAOYSA-N
MW348.15 g/mol
LogP5.03
Rot. Bonds3

About 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide

2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (PubChem CID 142643393) has the molecular formula C15H10Cl2F3NO and a molecular weight of 348.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
PubChem CID142643393
Molecular FormulaC15H10Cl2F3NO
Molecular Weight348.15 g/mol
Exact Mass347.01
IUPAC Name2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
SMILESO=C(NC(c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2F3NO/c16-10-7-4-8-11(17)12(10)14(22)21-13(15(18,19)20)9-5-2-1-3-6-9/h1-8,13H,(H,21,22)
InChIKeyTZCDAFPLSOOXLY-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.15
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
N-[1-(benzhydrylcarbamoylamino)propan-2-yl]-2,6-dichlorobenzamide
CID 139505626
4-methylsulfonyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]benzamide
CID 52652803
(2S)-3-(2-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]propanoic acid
CID 68864758
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)benzamide
CID 55794713
2-chloro-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,2-trifluoroethyl]benzamide
CID 51925040
methyl 6-[[(1R)-2,2,2-trifluoro-1-phenylethyl]carbamoyl]pyridine-3-carboxylate
CID 95234467
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
2,6-dichloro-N-[2,2,2-trichloro-1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 70540880
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide (CID 142643393) is 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is O=C(NC(c1ccccc1)C(F)(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
The InChIKey is TZCDAFPLSOOXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO/c16-10-7-4-8-11(17)12(10)14(22)21-13(15(18,19)20)9-5-2-1-3-6-9/h1-8,13H,(H,21,22).
What are the key properties of 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide?
2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide has a molecular weight of 348.15 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide is sourced from PubChem (CID 142643393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).