N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide

C12H6BrCl2FN2O — CID 75390644

IUPACN-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
SMILESO=C(Nc1ccncc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-7-5-17-2-1-11(7)18-12(19)6-3-10(16)9(15)4-8(6)14/h1-5H,(H,17,18,19)
InChIKeyNCTBPPVINSTFKZ-UHFFFAOYSA-N
MW364.00 g/mol
LogP4.54
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide

N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide (PubChem CID 75390644) has the molecular formula C12H6BrCl2FN2O and a molecular weight of 364.00 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
PubChem CID75390644
Molecular FormulaC12H6BrCl2FN2O
Molecular Weight364.00 g/mol
Exact Mass361.90
IUPAC NameN-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide
SMILESO=C(Nc1ccncc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C12H6BrCl2FN2O/c13-7-5-17-2-1-11(7)18-12(19)6-3-10(16)9(15)4-8(6)14/h1-5H,(H,17,18,19)
InChIKeyNCTBPPVINSTFKZ-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.00
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 114924258
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-pyridinyl]benzamide
CID 23828920
N-(3-bromo-4-pyridinyl)-6-chloropyrazine-2-carboxamide
CID 106551588
2-amino-N-(3-bromo-4-pyridinyl)-5-hydroxybenzamide
CID 107075793

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide (CID 75390644) is N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide is O=C(Nc1ccncc1Br)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide?
The InChIKey is NCTBPPVINSTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O/c13-7-5-17-2-1-11(7)18-12(19)6-3-10(16)9(15)4-8(6)14/h1-5H,(H,17,18,19).
What are the key properties of N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide?
N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide has a molecular weight of 364.00 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-2,4-dichloro-5-fluorobenzamide is sourced from PubChem (CID 75390644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).