3-bromo-N-(2-chloropropyl)-N-methylbenzamide

C11H13BrClNO — CID 63393941

IUPAC3-bromo-N-(2-chloropropyl)-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClNO/c1-8(13)7-14(2)11(15)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyMGPLCLJGMMWISG-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.15
Rot. Bonds3

About 3-bromo-N-(2-chloropropyl)-N-methylbenzamide

3-bromo-N-(2-chloropropyl)-N-methylbenzamide (PubChem CID 63393941) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 3-bromo-N-(2-chloropropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloropropyl)-N-methylbenzamide
PubChem CID63393941
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name3-bromo-N-(2-chloropropyl)-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClNO/c1-8(13)7-14(2)11(15)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyMGPLCLJGMMWISG-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
N-(2-chloropropyl)-3-cyano-N-methylbenzamide
CID 63393862
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloropropyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-chloropropyl)-N-methylbenzamide (CID 63393941) is 3-bromo-N-(2-chloropropyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-chloropropyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-chloropropyl)-N-methylbenzamide is CC(Cl)CN(C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-chloropropyl)-N-methylbenzamide?
The InChIKey is MGPLCLJGMMWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(13)7-14(2)11(15)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-chloropropyl)-N-methylbenzamide?
3-bromo-N-(2-chloropropyl)-N-methylbenzamide has a molecular weight of 290.59 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloropropyl)-N-methylbenzamide is sourced from PubChem (CID 63393941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).