2-bromo-4,5-dipropoxybenzamide

C13H18BrNO3 — CID 82552405

IUPAC2-bromo-4,5-dipropoxybenzamide
SMILESCCCOc1cc(Br)c(C(N)=O)cc1OCCC
InChIInChI=1S/C13H18BrNO3/c1-3-5-17-11-7-9(13(15)16)10(14)8-12(11)18-6-4-2/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyKHQCATBWITYPHQ-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.13
Rot. Bonds7

About 2-bromo-4,5-dipropoxybenzamide

2-bromo-4,5-dipropoxybenzamide (PubChem CID 82552405) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-bromo-4,5-dipropoxybenzamide.

Molecular Properties

Compound Name2-bromo-4,5-dipropoxybenzamide
PubChem CID82552405
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-bromo-4,5-dipropoxybenzamide
SMILESCCCOc1cc(Br)c(C(N)=O)cc1OCCC
InChIInChI=1S/C13H18BrNO3/c1-3-5-17-11-7-9(13(15)16)10(14)8-12(11)18-6-4-2/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyKHQCATBWITYPHQ-UHFFFAOYSA-N
XLogP3.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-propoxybenzamide
CID 63356295
2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
methyl 2-bromo-5-butoxy-4-methylbenzoate
CID 170777712
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
methyl 5-bromo-2,4-dipropoxybenzoate
CID 82550686
2-bromo-5-butoxy-4-methylbenzoic acid
CID 170777725
2-chloro-4,5-diethoxybenzamide
CID 82268164
5-bromo-N-[(4-carbamoylphenyl)carbamothioyl]-2-propoxybenzamide
CID 17351970
[(2-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 57360365
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dipropoxybenzamide?
The IUPAC name of 2-bromo-4,5-dipropoxybenzamide (CID 82552405) is 2-bromo-4,5-dipropoxybenzamide.
What is the SMILES notation for 2-bromo-4,5-dipropoxybenzamide?
The canonical SMILES for 2-bromo-4,5-dipropoxybenzamide is CCCOc1cc(Br)c(C(N)=O)cc1OCCC.
What is the InChIKey of 2-bromo-4,5-dipropoxybenzamide?
The InChIKey is KHQCATBWITYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-3-5-17-11-7-9(13(15)16)10(14)8-12(11)18-6-4-2/h7-8H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 2-bromo-4,5-dipropoxybenzamide?
2-bromo-4,5-dipropoxybenzamide has a molecular weight of 316.19 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dipropoxybenzamide is sourced from PubChem (CID 82552405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).