3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide

C11H11BrClNO — CID 104952959

IUPAC3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO/c1-3-4-14(2)11(15)8-5-9(12)7-10(13)6-8/h3,5-7H,1,4H2,2H3
InChIKeyYIJZPUOXMIGEDH-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.36
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide

3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide (PubChem CID 104952959) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
PubChem CID104952959
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO/c1-3-4-14(2)11(15)8-5-9(12)7-10(13)6-8/h3,5-7H,1,4H2,2H3
InChIKeyYIJZPUOXMIGEDH-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 103826781
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3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
3-bromo-5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103826474
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide (CID 104952959) is 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide?
The InChIKey is YIJZPUOXMIGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-3-4-14(2)11(15)8-5-9(12)7-10(13)6-8/h3,5-7H,1,4H2,2H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide?
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide has a molecular weight of 288.57 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 104952959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).