2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide

C15H10Cl3F3N2O — CID 87120690

IUPAC2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
SMILESCC(NC(=O)c1c(Cl)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10Cl3F3N2O/c1-7(13-11(18)5-8(6-22-13)15(19,20)21)23-14(24)12-9(16)3-2-4-10(12)17/h2-7H,1H3,(H,23,24)
InChIKeyPOMJMNBIQHBBDC-UHFFFAOYSA-N
MW397.61 g/mol
LogP5.55
Rot. Bonds3

About 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide

2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide (PubChem CID 87120690) has the molecular formula C15H10Cl3F3N2O and a molecular weight of 397.61 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
PubChem CID87120690
Molecular FormulaC15H10Cl3F3N2O
Molecular Weight397.61 g/mol
Exact Mass395.98
IUPAC Name2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
SMILESCC(NC(=O)c1c(Cl)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10Cl3F3N2O/c1-7(13-11(18)5-8(6-22-13)15(19,20)21)23-14(24)12-9(16)3-2-4-10(12)17/h2-7H,1H3,(H,23,24)
InChIKeyPOMJMNBIQHBBDC-UHFFFAOYSA-N
XLogP5.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 1473781
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(1-phenylethyl)acetamide
CID 3848305
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 87667694
N-[1-(3-acetylphenyl)ethyl]-2,6-dichlorobenzamide
CID 123228941
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 135182236
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 143866892
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoethyl]-2-(trifluoromethyl)benzamide
CID 176908109
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 142381958
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide (CID 87120690) is 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide is CC(NC(=O)c1c(Cl)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is POMJMNBIQHBBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F3N2O/c1-7(13-11(18)5-8(6-22-13)15(19,20)21)23-14(24)12-9(16)3-2-4-10(12)17/h2-7H,1H3,(H,23,24).
What are the key properties of 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 397.61 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 87120690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).