2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide

C20H12Cl2F3N3O2 — CID 13242668

IUPAC2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H12Cl2F3N3O2/c21-14-5-2-6-15(22)17(14)18(29)28-19(30)27-16-8-7-12(10-26-16)11-3-1-4-13(9-11)20(23,24)25/h1-10H,(H2,26,27,28,29,30)
InChIKeyKUIVPQKDFXSESI-UHFFFAOYSA-N
MW454.24 g/mol
LogP6.04
Rot. Bonds3

About 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide

2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide (PubChem CID 13242668) has the molecular formula C20H12Cl2F3N3O2 and a molecular weight of 454.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
PubChem CID13242668
Molecular FormulaC20H12Cl2F3N3O2
Molecular Weight454.24 g/mol
Exact Mass453.03
IUPAC Name2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C20H12Cl2F3N3O2/c21-14-5-2-6-15(22)17(14)18(29)28-19(30)27-16-8-7-12(10-26-16)11-3-1-4-13(9-11)20(23,24)25/h1-10H,(H2,26,27,28,29,30)
InChIKeyKUIVPQKDFXSESI-UHFFFAOYSA-N
XLogP6.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.24
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
CID 12960044
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
CID 12912898
2,6-dichloro-N-[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 13035548
2,6-dichloro-N-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]benzamide
CID 4174080
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
CID 21313103

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide (CID 13242668) is 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide?
The InChIKey is KUIVPQKDFXSESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3O2/c21-14-5-2-6-15(22)17(14)18(29)28-19(30)27-16-8-7-12(10-26-16)11-3-1-4-13(9-11)20(23,24)25/h1-10H,(H2,26,27,28,29,30).
What are the key properties of 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide?
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide has a molecular weight of 454.24 g/mol, XLogP of 6.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 13242668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).