4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

C19H10Cl2F4N2O — CID 11407730

IUPAC4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C19H10Cl2F4N2O/c20-14-6-4-11(9-13(14)19(23,24)25)27-18(28)12-5-3-10(8-16(12)22)17-15(21)2-1-7-26-17/h1-9H,(H,27,28)
InChIKeyWLRBHNMOYKGMOF-UHFFFAOYSA-N
MW429.20 g/mol
LogP6.47
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (PubChem CID 11407730) has the molecular formula C19H10Cl2F4N2O and a molecular weight of 429.20 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
PubChem CID11407730
Molecular FormulaC19H10Cl2F4N2O
Molecular Weight429.20 g/mol
Exact Mass428.01
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C19H10Cl2F4N2O/c20-14-6-4-11(9-13(14)19(23,24)25)27-18(28)12-5-3-10(8-16(12)22)17-15(21)2-1-7-26-17/h1-9H,(H,27,28)
InChIKeyWLRBHNMOYKGMOF-UHFFFAOYSA-N
XLogP6.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.20
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
CID 11484943
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 103751854
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
CID 11451124
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 11640796

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (CID 11407730) is 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is WLRBHNMOYKGMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F4N2O/c20-14-6-4-11(9-13(14)19(23,24)25)27-18(28)12-5-3-10(8-16(12)22)17-15(21)2-1-7-26-17/h1-9H,(H,27,28).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide has a molecular weight of 429.20 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 11407730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).