2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide

C18H13BrFN3O — CID 113018308

IUPAC2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nc1)c1ccccc1Br
InChIInChI=1S/C18H13BrFN3O/c19-16-4-2-1-3-15(16)18(24)23-14-9-10-17(21-11-14)22-13-7-5-12(20)6-8-13/h1-11H,(H,21,22)(H,23,24)
InChIKeyNZJHSJNPCDBYRB-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.98
Rot. Bonds4

About 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide

2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide (PubChem CID 113018308) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
PubChem CID113018308
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)nc1)c1ccccc1Br
InChIInChI=1S/C18H13BrFN3O/c19-16-4-2-1-3-15(16)18(24)23-14-9-10-17(21-11-14)22-13-7-5-12(20)6-8-13/h1-11H,(H,21,22)(H,23,24)
InChIKeyNZJHSJNPCDBYRB-UHFFFAOYSA-N
XLogP4.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[6-(tert-butylamino)-3-pyridinyl]benzamide
CID 113014773
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(4-bromoanilino)-3-pyridinyl]-2-methylbenzamide
CID 113019208
N-(6-anilino-3-pyridinyl)-2-hydroxybenzamide
CID 110176412
2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
CID 113037262
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(4-fluoroanilino)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113018345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide (CID 113018308) is 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(F)cc2)nc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide?
The InChIKey is NZJHSJNPCDBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-16-4-2-1-3-15(16)18(24)23-14-9-10-17(21-11-14)22-13-7-5-12(20)6-8-13/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide?
2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide has a molecular weight of 386.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(4-fluoroanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113018308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).