N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide

C20H14BrF2N3O2 — CID 13242683

IUPACN-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ncc1-c1ccc(Br)cc1
InChIInChI=1S/C20H14BrF2N3O2/c1-11-9-17(24-10-14(11)12-5-7-13(21)8-6-12)25-20(28)26-19(27)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H2,24,25,26,27,28)
InChIKeyCANAWAVKLVUCBV-UHFFFAOYSA-N
MW446.25 g/mol
LogP5.06
Rot. Bonds3

About N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide

N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 13242683) has the molecular formula C20H14BrF2N3O2 and a molecular weight of 446.25 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID13242683
Molecular FormulaC20H14BrF2N3O2
Molecular Weight446.25 g/mol
Exact Mass445.02
IUPAC NameN-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ncc1-c1ccc(Br)cc1
InChIInChI=1S/C20H14BrF2N3O2/c1-11-9-17(24-10-14(11)12-5-7-13(21)8-6-12)25-20(28)26-19(27)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H2,24,25,26,27,28)
InChIKeyCANAWAVKLVUCBV-UHFFFAOYSA-N
XLogP5.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.25
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (CID 13242683) is N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ncc1-c1ccc(Br)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is CANAWAVKLVUCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF2N3O2/c1-11-9-17(24-10-14(11)12-5-7-13(21)8-6-12)25-20(28)26-19(27)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 446.25 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-4-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 13242683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).