N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide

C19H10ClF5N2O2 — CID 10113425

IUPACN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H10ClF5N2O2/c20-14-8-12(27-18(28)13-4-2-11(21)7-15(13)22)3-5-16(14)29-17-6-1-10(9-26-17)19(23,24)25/h1-9H,(H,27,28)
InChIKeyOOBJYPIQCGANRC-UHFFFAOYSA-N
MW428.74 g/mol
LogP6.08
Rot. Bonds4

About N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide

N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide (PubChem CID 10113425) has the molecular formula C19H10ClF5N2O2 and a molecular weight of 428.74 g/mol. Its IUPAC name is N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
PubChem CID10113425
Molecular FormulaC19H10ClF5N2O2
Molecular Weight428.74 g/mol
Exact Mass428.04
IUPAC NameN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C19H10ClF5N2O2/c20-14-8-12(27-18(28)13-4-2-11(21)7-15(13)22)3-5-16(14)29-17-6-1-10(9-26-17)19(23,24)25/h1-9H,(H,27,28)
InChIKeyOOBJYPIQCGANRC-UHFFFAOYSA-N
XLogP6.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-hydroxybenzamide
CID 10116535
3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoate
CID 7084639
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 56952843
2-(2-chloro-4-fluorophenoxy)-N-oxido-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175125142
4-chloro-N-[3-chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-2-carboxamide
CID 73058486
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151376738
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
CID 122142167
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide
CID 119887683
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide (CID 10113425) is N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide?
The InChIKey is OOBJYPIQCGANRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF5N2O2/c20-14-8-12(27-18(28)13-4-2-11(21)7-15(13)22)3-5-16(14)29-17-6-1-10(9-26-17)19(23,24)25/h1-9H,(H,27,28).
What are the key properties of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide?
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide has a molecular weight of 428.74 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 10113425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).