2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide

C14H19BrClNO2 — CID 78849698

IUPAC2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClNO2/c1-10(2)9-19-7-3-6-17-14(18)12-8-11(16)4-5-13(12)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyLBJBVBSCZDJZHW-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.89
Rot. Bonds7

About 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide

2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 78849698) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID78849698
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(C)COCCCNC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClNO2/c1-10(2)9-19-7-3-6-17-14(18)12-8-11(16)4-5-13(12)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyLBJBVBSCZDJZHW-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.89
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

5-chloro-N-[3-(2-methylpropoxy)propyl]-2-nitrobenzamide
CID 60667505
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461022
2-fluoro-4-hydroxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103940009
2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
2-amino-5-fluoro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 43363356
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide (CID 78849698) is 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide is CC(C)COCCCNC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is LBJBVBSCZDJZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-10(2)9-19-7-3-6-17-14(18)12-8-11(16)4-5-13(12)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide?
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 348.67 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 78849698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).