4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide

C22H15ClF5N3O5 — CID 154645472

IUPAC4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide
SMILESCOc1c(Oc2cc(Cl)c(C)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C22H15ClF5N3O5/c1-9-11(23)8-15(35-14-4-3-13(36-22(26,27)28)18(25)19(14)34-2)16(17(9)24)21(33)31-10-5-6-30-12(7-10)20(29)32/h3-8H,1-2H3,(H2,29,32)(H,30,31,33)
InChIKeyRLZFZNTUHCVLMN-UHFFFAOYSA-N
MW531.82 g/mol
LogP5.37
Rot. Bonds7

About 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide

4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645472) has the molecular formula C22H15ClF5N3O5 and a molecular weight of 531.82 g/mol. Its IUPAC name is 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide
PubChem CID154645472
Molecular FormulaC22H15ClF5N3O5
Molecular Weight531.82 g/mol
Exact Mass531.06
IUPAC Name4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide
SMILESCOc1c(Oc2cc(Cl)c(C)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C22H15ClF5N3O5/c1-9-11(23)8-15(35-14-4-3-13(36-22(26,27)28)18(25)19(14)34-2)16(17(9)24)21(33)31-10-5-6-30-12(7-10)20(29)32/h3-8H,1-2H3,(H2,29,32)(H,30,31,33)
InChIKeyRLZFZNTUHCVLMN-UHFFFAOYSA-N
XLogP5.37
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.82
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide (CID 154645472) is 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide is COc1c(Oc2cc(Cl)c(C)c(F)c2C(=O)Nc2ccnc(C(N)=O)c2)ccc(OC(F)(F)F)c1F.
What is the InChIKey of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide?
The InChIKey is RLZFZNTUHCVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF5N3O5/c1-9-11(23)8-15(35-14-4-3-13(36-22(26,27)28)18(25)19(14)34-2)16(17(9)24)21(33)31-10-5-6-30-12(7-10)20(29)32/h3-8H,1-2H3,(H2,29,32)(H,30,31,33).
What are the key properties of 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide?
4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide has a molecular weight of 531.82 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methylbenzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).