4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide

C19H12Br2N2O2 — CID 3748947

IUPAC4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(C(=O)c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C19H12Br2N2O2/c20-15-8-4-13(5-9-15)18(24)23(17-3-1-2-12-22-17)19(25)14-6-10-16(21)11-7-14/h1-12H
InChIKeyFHFBWLMXZHSQCZ-UHFFFAOYSA-N
MW460.13 g/mol
LogP5.09
Rot. Bonds3

About 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide

4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide (PubChem CID 3748947) has the molecular formula C19H12Br2N2O2 and a molecular weight of 460.13 g/mol. Its IUPAC name is 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
PubChem CID3748947
Molecular FormulaC19H12Br2N2O2
Molecular Weight460.13 g/mol
Exact Mass457.93
IUPAC Name4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(C(=O)c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C19H12Br2N2O2/c20-15-8-4-13(5-9-15)18(24)23(17-3-1-2-12-22-17)19(25)14-6-10-16(21)11-7-14/h1-12H
InChIKeyFHFBWLMXZHSQCZ-UHFFFAOYSA-N
XLogP5.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.13
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
N-methyl-4-phenyl-N-pyridin-2-ylbenzamide
CID 51051172
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
CID 17358116
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
4-bromo-N-hydroxy-N-phenylbenzamide
CID 25115715
(3S)-3-(4-bromophenyl)-N-methyl-N-pyridin-2-ylbutanamide
CID 124593925
4-bromo-3-nitro-N,N-dipyridin-2-ylbenzamide
CID 4590979
1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 4644017
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657
N'-tert-butyl-N'-methyl-N-pyridin-2-ylbenzohydrazide
CID 19368177
N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide
CID 21229756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide (CID 3748947) is 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide is O=C(c1ccc(Br)cc1)N(C(=O)c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide?
The InChIKey is FHFBWLMXZHSQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N2O2/c20-15-8-4-13(5-9-15)18(24)23(17-3-1-2-12-22-17)19(25)14-6-10-16(21)11-7-14/h1-12H.
What are the key properties of 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide?
4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide has a molecular weight of 460.13 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 3748947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).