4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide

C26H17BrF2N2O2 — CID 10118184

IUPAC4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide
SMILESCc1cccc(C(=O)c2ccc(N(C(=O)c3ccc(Br)cc3)c3c(F)cccc3F)nc2)c1
InChIInChI=1S/C26H17BrF2N2O2/c1-16-4-2-5-18(14-16)25(32)19-10-13-23(30-15-19)31(24-21(28)6-3-7-22(24)29)26(33)17-8-11-20(27)12-9-17/h2-15H,1H3
InChIKeyHWJLTGBEORNWCL-UHFFFAOYSA-N
MW507.33 g/mol
LogP6.64
Rot. Bonds5

About 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide

4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide (PubChem CID 10118184) has the molecular formula C26H17BrF2N2O2 and a molecular weight of 507.33 g/mol. Its IUPAC name is 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide
PubChem CID10118184
Molecular FormulaC26H17BrF2N2O2
Molecular Weight507.33 g/mol
Exact Mass506.04
IUPAC Name4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide
SMILESCc1cccc(C(=O)c2ccc(N(C(=O)c3ccc(Br)cc3)c3c(F)cccc3F)nc2)c1
InChIInChI=1S/C26H17BrF2N2O2/c1-16-4-2-5-18(14-16)25(32)19-10-13-23(30-15-19)31(24-21(28)6-3-7-22(24)29)26(33)17-8-11-20(27)12-9-17/h2-15H,1H3
InChIKeyHWJLTGBEORNWCL-UHFFFAOYSA-N
XLogP6.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.33
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide (CID 10118184) is 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide is Cc1cccc(C(=O)c2ccc(N(C(=O)c3ccc(Br)cc3)c3c(F)cccc3F)nc2)c1.
What is the InChIKey of 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide?
The InChIKey is HWJLTGBEORNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrF2N2O2/c1-16-4-2-5-18(14-16)25(32)19-10-13-23(30-15-19)31(24-21(28)6-3-7-22(24)29)26(33)17-8-11-20(27)12-9-17/h2-15H,1H3.
What are the key properties of 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide?
4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide has a molecular weight of 507.33 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-difluorophenyl)-N-[5-(3-methylbenzoyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10118184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).