3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide

C11H12Br2ClNO — CID 107974799

IUPAC3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2ClNO/c1-7(14)6-15(2)11(16)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3
InChIKeyQZCLOQNETIVHEK-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.91
Rot. Bonds3

About 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide

3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide (PubChem CID 107974799) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
PubChem CID107974799
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2ClNO/c1-7(14)6-15(2)11(16)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3
InChIKeyQZCLOQNETIVHEK-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.91
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-(2-chloropropyl)-N-methylbenzamide
CID 63393941
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
3,5-dibromo-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 107980558
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-5-chloro-N-methylbenzamide
CID 107940523
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
methyl 3-[(3-bromo-5-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008265

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide (CID 107974799) is 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide is CC(Cl)CN(C)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide?
The InChIKey is QZCLOQNETIVHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-7(14)6-15(2)11(16)8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide?
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide has a molecular weight of 369.48 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide is sourced from PubChem (CID 107974799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).