2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide

C21H16Cl2FN3O2 — CID 13242717

IUPAC2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2Cl)nc(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2FN3O2/c1-11-10-17(25-12(2)18(11)13-6-8-14(22)9-7-13)26-21(29)27-20(28)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H2,25,26,27,28,29)
InChIKeyJEIHVCFJHWIRAM-UHFFFAOYSA-N
MW432.28 g/mol
LogP5.77
Rot. Bonds3

About 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide

2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide (PubChem CID 13242717) has the molecular formula C21H16Cl2FN3O2 and a molecular weight of 432.28 g/mol. Its IUPAC name is 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
PubChem CID13242717
Molecular FormulaC21H16Cl2FN3O2
Molecular Weight432.28 g/mol
Exact Mass431.06
IUPAC Name2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2Cl)nc(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl2FN3O2/c1-11-10-17(25-12(2)18(11)13-6-8-14(22)9-7-13)26-21(29)27-20(28)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H2,25,26,27,28,29)
InChIKeyJEIHVCFJHWIRAM-UHFFFAOYSA-N
XLogP5.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.28
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide (CID 13242717) is 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2Cl)nc(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
The InChIKey is JEIHVCFJHWIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN3O2/c1-11-10-17(25-12(2)18(11)13-6-8-14(22)9-7-13)26-21(29)27-20(28)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide has a molecular weight of 432.28 g/mol, XLogP of 5.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide is sourced from PubChem (CID 13242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).