N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide

C21H15ClF4N2O2 — CID 18419428

IUPACN-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCc1cc(Oc2ccc(Cl)cc2C)ncc1NC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C21H15ClF4N2O2/c1-11-9-18(30-17-7-6-13(22)8-12(17)2)27-10-16(11)28-20(29)19-14(21(24,25)26)4-3-5-15(19)23/h3-10H,1-2H3,(H,28,29)
InChIKeyQIVBFBDDAZVNBN-UHFFFAOYSA-N
MW438.81 g/mol
LogP6.55
Rot. Bonds4

About N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide

N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide (PubChem CID 18419428) has the molecular formula C21H15ClF4N2O2 and a molecular weight of 438.81 g/mol. Its IUPAC name is N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
PubChem CID18419428
Molecular FormulaC21H15ClF4N2O2
Molecular Weight438.81 g/mol
Exact Mass438.08
IUPAC NameN-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
SMILESCc1cc(Oc2ccc(Cl)cc2C)ncc1NC(=O)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C21H15ClF4N2O2/c1-11-9-18(30-17-7-6-13(22)8-12(17)2)27-10-16(11)28-20(29)19-14(21(24,25)26)4-3-5-15(19)23/h3-10H,1-2H3,(H,28,29)
InChIKeyQIVBFBDDAZVNBN-UHFFFAOYSA-N
XLogP6.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
2-(4-chloro-2-methylphenoxy)-N-(2,6-difluorophenyl)-2,2-difluoroacetamide
CID 1483207
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
2-(4-chloro-2-methylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 5111404
5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137406923
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluorophenyl]carbamoyl]-2,6-difluorobenzamide
CID 88657797
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide (CID 18419428) is N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide is Cc1cc(Oc2ccc(Cl)cc2C)ncc1NC(=O)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
The InChIKey is QIVBFBDDAZVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N2O2/c1-11-9-18(30-17-7-6-13(22)8-12(17)2)27-10-16(11)28-20(29)19-14(21(24,25)26)4-3-5-15(19)23/h3-10H,1-2H3,(H,28,29).
What are the key properties of N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide?
N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide has a molecular weight of 438.81 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2-methylphenoxy)-4-methyl-3-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 18419428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).