N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide

C22H17F4N3O5 — CID 57224277

IUPACN-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C22H17F4N3O5/c1-32-15-4-3-5-16(33-2)19(15)20(30)29-21(31)28-13-7-9-18(27-11-13)34-17-10-12(22(24,25)26)6-8-14(17)23/h3-11H,1-2H3,(H2,28,29,30,31)
InChIKeyKBQZDOWEIAMWMC-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.01
Rot. Bonds6

About N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide

N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide (PubChem CID 57224277) has the molecular formula C22H17F4N3O5 and a molecular weight of 479.39 g/mol. Its IUPAC name is N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
PubChem CID57224277
Molecular FormulaC22H17F4N3O5
Molecular Weight479.39 g/mol
Exact Mass479.11
IUPAC NameN-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2F)nc1
InChIInChI=1S/C22H17F4N3O5/c1-32-15-4-3-5-16(33-2)19(15)20(30)29-21(31)28-13-7-9-18(27-11-13)34-17-10-12(22(24,25)26)6-8-14(17)23/h3-11H,1-2H3,(H2,28,29,30,31)
InChIKeyKBQZDOWEIAMWMC-UHFFFAOYSA-N
XLogP5.01
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide with MolForge

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Related Compounds

2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
2,6-dimethoxy-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912799
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912760
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
2,6-dimethoxy-N-[(6-phenylmethoxy-3-pyridinyl)carbamoyl]benzamide
CID 12912868
N-[[6-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 19072615
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 56952843
2,6-dichloro-N-[[6-[3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912749
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
CID 42878509
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide (CID 57224277) is N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2F)nc1.
What is the InChIKey of N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
The InChIKey is KBQZDOWEIAMWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O5/c1-32-15-4-3-5-16(33-2)19(15)20(30)29-21(31)28-13-7-9-18(27-11-13)34-17-10-12(22(24,25)26)6-8-14(17)23/h3-11H,1-2H3,(H2,28,29,30,31).
What are the key properties of N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide?
N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide has a molecular weight of 479.39 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 57224277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).