3-bromo-5-chloro-4-fluorobenzamide

C7H4BrClFNO — CID 131622385

IUPAC3-bromo-5-chloro-4-fluorobenzamide
SMILESNC(=O)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C7H4BrClFNO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)
InChIKeyLMXMNRTUKFMHCP-UHFFFAOYSA-N
MW252.47 g/mol
LogP2.34
Rot. Bonds1

About 3-bromo-5-chloro-4-fluorobenzamide

3-bromo-5-chloro-4-fluorobenzamide (PubChem CID 131622385) has the molecular formula C7H4BrClFNO and a molecular weight of 252.47 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-4-fluorobenzamide
PubChem CID131622385
Molecular FormulaC7H4BrClFNO
Molecular Weight252.47 g/mol
Exact Mass250.91
IUPAC Name3-bromo-5-chloro-4-fluorobenzamide
SMILESNC(=O)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C7H4BrClFNO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12)
InChIKeyLMXMNRTUKFMHCP-UHFFFAOYSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
CID 117420397
4-bromo-3-chloro-5-fluorobenzamide
CID 130977761
3,5-dichloro-4-iodobenzamide
CID 50849721
3-bromo-4-chloro-5-(trifluoromethyl)benzamide
CID 146676133
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 117454067
5-bromo-1,2,3-trichlorobenzene;1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethanone
CID 160613333
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478
3-bromo-5-chlorobenzamide
CID 53417471
5-arsoroso-1-bromo-3-chloro-2-fluorobenzene
CID 172524611
3,4-dichloro-5-methylbenzamide
CID 121228378
2-bromo-6-chloropyridine-4-carboxamide
CID 119013202
2-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-fluorobenzamide?
The IUPAC name of 3-bromo-5-chloro-4-fluorobenzamide (CID 131622385) is 3-bromo-5-chloro-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-5-chloro-4-fluorobenzamide?
The canonical SMILES for 3-bromo-5-chloro-4-fluorobenzamide is NC(=O)c1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-fluorobenzamide?
The InChIKey is LMXMNRTUKFMHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H2,11,12).
What are the key properties of 3-bromo-5-chloro-4-fluorobenzamide?
3-bromo-5-chloro-4-fluorobenzamide has a molecular weight of 252.47 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-fluorobenzamide is sourced from PubChem (CID 131622385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).