4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide

C18H13BrFN3O — CID 113032990

IUPAC4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2F)cn1)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrFN3O/c19-13-7-5-12(6-8-13)18(24)23-17-10-9-14(11-21-17)22-16-4-2-1-3-15(16)20/h1-11,22H,(H,21,23,24)
InChIKeyGVVSGEFLWBFRBP-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.98
Rot. Bonds4

About 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide

4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide (PubChem CID 113032990) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
PubChem CID113032990
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2F)cn1)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrFN3O/c19-13-7-5-12(6-8-13)18(24)23-17-10-9-14(11-21-17)22-16-4-2-1-3-15(16)20/h1-11,22H,(H,21,23,24)
InChIKeyGVVSGEFLWBFRBP-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

N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053
4-methyl-N-[5-(2-methylanilino)-2-pyridinyl]benzamide
CID 113031308
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
CID 113024450
4-fluoro-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031425
N-(5-bromo-2-pyridinyl)-4-(3-fluoro-2-pyridinyl)benzamide
CID 59673732

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide (CID 113032990) is 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccccc2F)cn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide?
The InChIKey is GVVSGEFLWBFRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-13-7-5-12(6-8-13)18(24)23-17-10-9-14(11-21-17)22-16-4-2-1-3-15(16)20/h1-11,22H,(H,21,23,24).
What are the key properties of 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide?
4-bromo-N-[5-(2-fluoroanilino)-2-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 4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).