3-bromo-N-(2-bromoethyl)-5-chlorobenzamide

C9H8Br2ClNO — CID 107941216

IUPAC3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
SMILESO=C(NCCBr)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H8Br2ClNO/c10-1-2-13-9(14)6-3-7(11)5-8(12)4-6/h3-5H,1-2H2,(H,13,14)
InChIKeyAVQFRLKLHWWGDH-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.23
Rot. Bonds3

About 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide

3-bromo-N-(2-bromoethyl)-5-chlorobenzamide (PubChem CID 107941216) has the molecular formula C9H8Br2ClNO and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
PubChem CID107941216
Molecular FormulaC9H8Br2ClNO
Molecular Weight341.43 g/mol
Exact Mass338.87
IUPAC Name3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
SMILESO=C(NCCBr)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H8Br2ClNO/c10-1-2-13-9(14)6-3-7(11)5-8(12)4-6/h3-5H,1-2H2,(H,13,14)
InChIKeyAVQFRLKLHWWGDH-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993
N-(2-azidoethyl)-3-bromo-5-chlorobenzamide
CID 107940769
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide (CID 107941216) is 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide is O=C(NCCBr)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide?
The InChIKey is AVQFRLKLHWWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2ClNO/c10-1-2-13-9(14)6-3-7(11)5-8(12)4-6/h3-5H,1-2H2,(H,13,14).
What are the key properties of 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide?
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide has a molecular weight of 341.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-5-chlorobenzamide is sourced from PubChem (CID 107941216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).