2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C24H13ClF11N3O3 — CID 89104184

IUPAC2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(OC(F)(F)F)c1NC(=O)c1cccc(NC(=O)c2cccnc2Cl)c1F
InChIInChI=1S/C24H13ClF11N3O3/c1-10-8-11(21(27,22(28,29)30)23(31,32)33)9-15(42-24(34,35)36)17(10)39-19(40)12-4-2-6-14(16(12)26)38-20(41)13-5-3-7-37-18(13)25/h2-9H,1H3,(H,38,41)(H,39,40)
InChIKeyLSPJZIZROKAGTQ-UHFFFAOYSA-N
MW635.82 g/mol
LogP7.88
Rot. Bonds6

About 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 89104184) has the molecular formula C24H13ClF11N3O3 and a molecular weight of 635.82 g/mol. Its IUPAC name is 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID89104184
Molecular FormulaC24H13ClF11N3O3
Molecular Weight635.82 g/mol
Exact Mass635.05
IUPAC Name2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(OC(F)(F)F)c1NC(=O)c1cccc(NC(=O)c2cccnc2Cl)c1F
InChIInChI=1S/C24H13ClF11N3O3/c1-10-8-11(21(27,22(28,29)30)23(31,32)33)9-15(42-24(34,35)36)17(10)39-19(40)12-4-2-6-14(16(12)26)38-20(41)13-5-3-7-37-18(13)25/h2-9H,1H3,(H,38,41)(H,39,40)
InChIKeyLSPJZIZROKAGTQ-UHFFFAOYSA-N
XLogP7.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.82
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 89104184) is 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(OC(F)(F)F)c1NC(=O)c1cccc(NC(=O)c2cccnc2Cl)c1F.
What is the InChIKey of 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is LSPJZIZROKAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF11N3O3/c1-10-8-11(21(27,22(28,29)30)23(31,32)33)9-15(42-24(34,35)36)17(10)39-19(40)12-4-2-6-14(16(12)26)38-20(41)13-5-3-7-37-18(13)25/h2-9H,1H3,(H,38,41)(H,39,40).
What are the key properties of 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 635.82 g/mol, XLogP of 7.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 89104184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).