N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide

C20H15ClFN3O3 — CID 54548611

IUPACN-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(=O)Nc1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H15ClFN3O3/c1-28-16-4-2-3-15(22)18(16)19(26)25-20(27)24-17-10-7-13(11-23-17)12-5-8-14(21)9-6-12/h2-11H,1H3,(H2,23,24,25,26,27)
InChIKeyZIIAFMYTBZOGBQ-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.51
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide

N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide (PubChem CID 54548611) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
PubChem CID54548611
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC NameN-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(=O)Nc1ccc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H15ClFN3O3/c1-28-16-4-2-3-15(22)18(16)19(26)25-20(27)24-17-10-7-13(11-23-17)12-5-8-14(21)9-6-12/h2-11H,1H3,(H2,23,24,25,26,27)
InChIKeyZIIAFMYTBZOGBQ-UHFFFAOYSA-N
XLogP4.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide (CID 54548611) is N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(=O)Nc1ccc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is ZIIAFMYTBZOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c1-28-16-4-2-3-15(22)18(16)19(26)25-20(27)24-17-10-7-13(11-23-17)12-5-8-14(21)9-6-12/h2-11H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 399.81 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 54548611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).