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

C13H17BrClNO2 — CID 103826764

IUPAC3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
SMILESCCCCOCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-2-3-5-18-6-4-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyVMZMECHDAOMGID-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.65
Rot. Bonds7

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

3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide (PubChem CID 103826764) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
PubChem CID103826764
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
SMILESCCCCOCCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNO2/c1-2-3-5-18-6-4-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyVMZMECHDAOMGID-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
5-bromo-N-(2-butoxyethyl)-2-chloropyridine-3-carboxamide
CID 62000850
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
3-bromo-5-chloro-N-(3-phenoxypropyl)benzamide
CID 107952345
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
3,5-dichloro-N-propylbenzamide
CID 2767298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide (CID 103826764) is 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide is CCCCOCCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide?
The InChIKey is VMZMECHDAOMGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-2-3-5-18-6-4-16-13(17)10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide?
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide has a molecular weight of 334.64 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide is sourced from PubChem (CID 103826764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).