4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide

C22H17ClF4N2O5 — CID 137418756

IUPAC4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
SMILESCOCc1cc(NC(=O)c2c(F)cc(Cl)cc2Oc2ccc(OC(F)(F)F)cc2OC)ccn1
InChIInChI=1S/C22H17ClF4N2O5/c1-31-11-14-9-13(5-6-28-14)29-21(30)20-16(24)7-12(23)8-19(20)33-17-4-3-15(10-18(17)32-2)34-22(25,26)27/h3-10H,11H2,1-2H3,(H,28,29,30)
InChIKeyKCBZVAOSHXIBBB-UHFFFAOYSA-N
MW500.83 g/mol
LogP5.97
Rot. Bonds8

About 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide

4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide (PubChem CID 137418756) has the molecular formula C22H17ClF4N2O5 and a molecular weight of 500.83 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
PubChem CID137418756
Molecular FormulaC22H17ClF4N2O5
Molecular Weight500.83 g/mol
Exact Mass500.08
IUPAC Name4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
SMILESCOCc1cc(NC(=O)c2c(F)cc(Cl)cc2Oc2ccc(OC(F)(F)F)cc2OC)ccn1
InChIInChI=1S/C22H17ClF4N2O5/c1-31-11-14-9-13(5-6-28-14)29-21(30)20-16(24)7-12(23)8-19(20)33-17-4-3-15(10-18(17)32-2)34-22(25,26)27/h3-10H,11H2,1-2H3,(H,28,29,30)
InChIKeyKCBZVAOSHXIBBB-UHFFFAOYSA-N
XLogP5.97
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.83
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
CID 154984490
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 137410927
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
CID 137410960
4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-N-pyridin-4-ylbenzamide
CID 137408801
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 159986391
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645118

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide (CID 137418756) is 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide is COCc1cc(NC(=O)c2c(F)cc(Cl)cc2Oc2ccc(OC(F)(F)F)cc2OC)ccn1.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
The InChIKey is KCBZVAOSHXIBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF4N2O5/c1-31-11-14-9-13(5-6-28-14)29-21(30)20-16(24)7-12(23)8-19(20)33-17-4-3-15(10-18(17)32-2)34-22(25,26)27/h3-10H,11H2,1-2H3,(H,28,29,30).
What are the key properties of 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide?
4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide has a molecular weight of 500.83 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide is sourced from PubChem (CID 137418756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).