2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide

C23H17Cl3F3N3O2 — CID 58268040

IUPAC2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(=O)c2ncc(Cl)cc2NCc2ccc(Cl)c(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C23H17Cl3F3N3O2/c1-32(2)22(34)15-5-3-4-14(19(15)26)21(33)20-18(9-13(24)11-31-20)30-10-12-6-7-17(25)16(8-12)23(27,28)29/h3-9,11,30H,10H2,1-2H3
InChIKeyCLYROXLLUQATOP-UHFFFAOYSA-N
MW530.76 g/mol
LogP6.61
Rot. Bonds6

About 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide

2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide (PubChem CID 58268040) has the molecular formula C23H17Cl3F3N3O2 and a molecular weight of 530.76 g/mol. Its IUPAC name is 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide
PubChem CID58268040
Molecular FormulaC23H17Cl3F3N3O2
Molecular Weight530.76 g/mol
Exact Mass529.03
IUPAC Name2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(=O)c2ncc(Cl)cc2NCc2ccc(Cl)c(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C23H17Cl3F3N3O2/c1-32(2)22(34)15-5-3-4-14(19(15)26)21(33)20-18(9-13(24)11-31-20)30-10-12-6-7-17(25)16(8-12)23(27,28)29/h3-9,11,30H,10H2,1-2H3
InChIKeyCLYROXLLUQATOP-UHFFFAOYSA-N
XLogP6.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.76
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide (CID 58268040) is 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(C(=O)c2ncc(Cl)cc2NCc2ccc(Cl)c(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide?
The InChIKey is CLYROXLLUQATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3F3N3O2/c1-32(2)22(34)15-5-3-4-14(19(15)26)21(33)20-18(9-13(24)11-31-20)30-10-12-6-7-17(25)16(8-12)23(27,28)29/h3-9,11,30H,10H2,1-2H3.
What are the key properties of 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide?
2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide has a molecular weight of 530.76 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58268040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).