3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C21H8Cl3F9N4O2 — CID 2779745

IUPAC3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)c1NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H8Cl3F9N4O2/c22-10-1-7(19(25,26)27)4-13(36-17(38)15-11(23)2-8(5-34-15)20(28,29)30)14(10)37-18(39)16-12(24)3-9(6-35-16)21(31,32)33/h1-6H,(H,36,38)(H,37,39)
InChIKeyBNIZTHYMZJNBCF-UHFFFAOYSA-N
MW625.66 g/mol
LogP8.00
Rot. Bonds4

About 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 2779745) has the molecular formula C21H8Cl3F9N4O2 and a molecular weight of 625.66 g/mol. Its IUPAC name is 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID2779745
Molecular FormulaC21H8Cl3F9N4O2
Molecular Weight625.66 g/mol
Exact Mass623.96
IUPAC Name3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)c1NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C21H8Cl3F9N4O2/c22-10-1-7(19(25,26)27)4-13(36-17(38)15-11(23)2-8(5-34-15)20(28,29)30)14(10)37-18(39)16-12(24)3-9(6-35-16)21(31,32)33/h1-6H,(H,36,38)(H,37,39)
InChIKeyBNIZTHYMZJNBCF-UHFFFAOYSA-N
XLogP8.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.66
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 163304199
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
CID 71250988
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]thiourea
CID 2745993
3-chloro-N-[4-chloro-2-methyl-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174991613
3-chloro-N-[2-methyl-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174993762
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
3-chloro-N-[2-methyl-6-[[(E)-(2-methylphenyl)methylideneamino]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 165389592
3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 2779745) is 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(Cl)c1NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BNIZTHYMZJNBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H8Cl3F9N4O2/c22-10-1-7(19(25,26)27)4-13(36-17(38)15-11(23)2-8(5-34-15)20(28,29)30)14(10)37-18(39)16-12(24)3-9(6-35-16)21(31,32)33/h1-6H,(H,36,38)(H,37,39).
What are the key properties of 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 625.66 g/mol, XLogP of 8.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 2779745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).