4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide

C11H6BrClFN3O — CID 116795150

IUPAC4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc(Br)cc1F
InChIInChI=1S/C11H6BrClFN3O/c12-6-1-2-7(8(14)5-6)10(18)16-9-3-4-15-11(13)17-9/h1-5H,(H,15,16,17,18)
InChIKeyNIJWWTWPDOGZPQ-UHFFFAOYSA-N
MW330.54 g/mol
LogP3.28
Rot. Bonds2

About 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide

4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide (PubChem CID 116795150) has the molecular formula C11H6BrClFN3O and a molecular weight of 330.54 g/mol. Its IUPAC name is 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide
PubChem CID116795150
Molecular FormulaC11H6BrClFN3O
Molecular Weight330.54 g/mol
Exact Mass328.94
IUPAC Name4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc(Br)cc1F
InChIInChI=1S/C11H6BrClFN3O/c12-6-1-2-7(8(14)5-6)10(18)16-9-3-4-15-11(13)17-9/h1-5H,(H,15,16,17,18)
InChIKeyNIJWWTWPDOGZPQ-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
4-bromo-2-fluoro-N-quinoxalin-6-ylbenzamide
CID 60811844
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide (CID 116795150) is 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide is O=C(Nc1ccnc(Cl)n1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide?
The InChIKey is NIJWWTWPDOGZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFN3O/c12-6-1-2-7(8(14)5-6)10(18)16-9-3-4-15-11(13)17-9/h1-5H,(H,15,16,17,18).
What are the key properties of 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide?
4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide has a molecular weight of 330.54 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloropyrimidin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 116795150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).