N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide

C14H8Cl2F4N4O2 — CID 3523141

IUPACN,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
SMILESO=C(Nc1cccnc1Cl)C(F)(F)C(F)(F)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H8Cl2F4N4O2/c15-9-7(3-1-5-21-9)23-11(25)13(17,18)14(19,20)12(26)24-8-4-2-6-22-10(8)16/h1-6H,(H,23,25)(H,24,26)
InChIKeyBBNJYHBGWVHWLM-UHFFFAOYSA-N
MW411.14 g/mol
LogP3.63
Rot. Bonds5

About N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide

N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide (PubChem CID 3523141) has the molecular formula C14H8Cl2F4N4O2 and a molecular weight of 411.14 g/mol. Its IUPAC name is N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide.

Molecular Properties

Compound NameN,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
PubChem CID3523141
Molecular FormulaC14H8Cl2F4N4O2
Molecular Weight411.14 g/mol
Exact Mass410.00
IUPAC NameN,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
SMILESO=C(Nc1cccnc1Cl)C(F)(F)C(F)(F)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H8Cl2F4N4O2/c15-9-7(3-1-5-21-9)23-11(25)13(17,18)14(19,20)12(26)24-8-4-2-6-22-10(8)16/h1-6H,(H,23,25)(H,24,26)
InChIKeyBBNJYHBGWVHWLM-UHFFFAOYSA-N
XLogP3.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.14
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-chloro-3-pyridinyl)-2-methylbutanamide
CID 79797005
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
3-chloro-N-(2-chloro-3-pyridinyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
CID 142647933
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
CID 108520470
N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108520466
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
CID 7592959
N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4847268

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide?
The IUPAC name of N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide (CID 3523141) is N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide.
What is the SMILES notation for N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide?
The canonical SMILES for N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide is O=C(Nc1cccnc1Cl)C(F)(F)C(F)(F)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide?
The InChIKey is BBNJYHBGWVHWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F4N4O2/c15-9-7(3-1-5-21-9)23-11(25)13(17,18)14(19,20)12(26)24-8-4-2-6-22-10(8)16/h1-6H,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide?
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide has a molecular weight of 411.14 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide is sourced from PubChem (CID 3523141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).