3-bromo-5-chloro-N-ethyl-N-methylbenzamide

C10H11BrClNO — CID 103826781

IUPAC3-bromo-5-chloro-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H11BrClNO/c1-3-13(2)10(14)7-4-8(11)6-9(12)5-7/h4-6H,3H2,1-2H3
InChIKeyCEVMKEYIIFRKIH-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.19
Rot. Bonds2

About 3-bromo-5-chloro-N-ethyl-N-methylbenzamide

3-bromo-5-chloro-N-ethyl-N-methylbenzamide (PubChem CID 103826781) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-N-methylbenzamide
PubChem CID103826781
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name3-bromo-5-chloro-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H11BrClNO/c1-3-13(2)10(14)7-4-8(11)6-9(12)5-7/h4-6H,3H2,1-2H3
InChIKeyCEVMKEYIIFRKIH-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
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-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103827070
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
CID 107937807
3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107939685

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-N-methylbenzamide (CID 103826781) is 3-bromo-5-chloro-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-N-methylbenzamide?
The InChIKey is CEVMKEYIIFRKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-3-13(2)10(14)7-4-8(11)6-9(12)5-7/h4-6H,3H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-ethyl-N-methylbenzamide?
3-bromo-5-chloro-N-ethyl-N-methylbenzamide has a molecular weight of 276.56 g/mol, XLogP of 3.19, 2 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-ethyl-N-methylbenzamide is sourced from PubChem (CID 103826781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).