N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide

C20H9ClF7N3O3 — CID 88657797

IUPACN-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(F)c1F
InChIInChI=1S/C20H9ClF7N3O3/c21-9-6-8(20(26,27)28)7-29-18(9)34-13-5-4-12(15(24)16(13)25)30-19(33)31-17(32)14-10(22)2-1-3-11(14)23/h1-7H,(H2,30,31,32,33)
InChIKeyPRGKAKYXGGGVDD-UHFFFAOYSA-N
MW507.75 g/mol
LogP6.06
Rot. Bonds4

About N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 88657797) has the molecular formula C20H9ClF7N3O3 and a molecular weight of 507.75 g/mol. Its IUPAC name is N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID88657797
Molecular FormulaC20H9ClF7N3O3
Molecular Weight507.75 g/mol
Exact Mass507.02
IUPAC NameN-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(F)c1F
InChIInChI=1S/C20H9ClF7N3O3/c21-9-6-8(20(26,27)28)7-29-18(9)34-13-5-4-12(15(24)16(13)25)30-19(33)31-17(32)14-10(22)2-1-3-11(14)23/h1-7H,(H2,30,31,32,33)
InChIKeyPRGKAKYXGGGVDD-UHFFFAOYSA-N
XLogP6.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.75
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
CID 19873185
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3,5-trimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 12817125
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,5-dimethylphenyl]-methylcarbamoyl]-2,6-difluorobenzamide
CID 15622699
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2-fluoro-6-methylbenzamide
CID 89130553
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 18793633
2-chloro-6-methoxy-N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912838
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 57224277

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide (CID 88657797) is N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(F)c1F.
What is the InChIKey of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is PRGKAKYXGGGVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9ClF7N3O3/c21-9-6-8(20(26,27)28)7-29-18(9)34-13-5-4-12(15(24)16(13)25)30-19(33)31-17(32)14-10(22)2-1-3-11(14)23/h1-7H,(H2,30,31,32,33).
What are the key properties of N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 507.75 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 88657797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).