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

C19H11Br2F2N3O2 — CID 19073088

IUPACN-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(Br)cc2)c(Br)n1
InChIInChI=1S/C19H11Br2F2N3O2/c20-11-6-4-10(5-7-11)12-8-9-15(24-17(12)21)25-19(28)26-18(27)16-13(22)2-1-3-14(16)23/h1-9H,(H2,24,25,26,27,28)
InChIKeyOGJXGWRDBONFEA-UHFFFAOYSA-N
MW511.12 g/mol
LogP5.51
Rot. Bonds3

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

N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 19073088) has the molecular formula C19H11Br2F2N3O2 and a molecular weight of 511.12 g/mol. Its IUPAC name is N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID19073088
Molecular FormulaC19H11Br2F2N3O2
Molecular Weight511.12 g/mol
Exact Mass508.92
IUPAC NameN-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(Br)cc2)c(Br)n1
InChIInChI=1S/C19H11Br2F2N3O2/c20-11-6-4-10(5-7-11)12-8-9-15(24-17(12)21)25-19(28)26-18(27)16-13(22)2-1-3-14(16)23/h1-9H,(H2,24,25,26,27,28)
InChIKeyOGJXGWRDBONFEA-UHFFFAOYSA-N
XLogP5.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.12
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide (CID 19073088) is N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(-c2ccc(Br)cc2)c(Br)n1.
What is the InChIKey of N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is OGJXGWRDBONFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Br2F2N3O2/c20-11-6-4-10(5-7-11)12-8-9-15(24-17(12)21)25-19(28)26-18(27)16-13(22)2-1-3-14(16)23/h1-9H,(H2,24,25,26,27,28).
What are the key properties of N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide?
N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 511.12 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 19073088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).