4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide

C12H15Br2NO — CID 104556235

IUPAC4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)C(C)CBr
InChIInChI=1S/C12H15Br2NO/c1-8-6-10(14)4-5-11(8)12(16)15(3)9(2)7-13/h4-6,9H,7H2,1-3H3
InChIKeyLPDYEHNGLKJHAB-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.61
Rot. Bonds3

About 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide

4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide (PubChem CID 104556235) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
PubChem CID104556235
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)C(C)CBr
InChIInChI=1S/C12H15Br2NO/c1-8-6-10(14)4-5-11(8)12(16)15(3)9(2)7-13/h4-6,9H,7H2,1-3H3
InChIKeyLPDYEHNGLKJHAB-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.61
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

4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
5-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765072

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide?
The IUPAC name of 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide (CID 104556235) is 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide is Cc1cc(Br)ccc1C(=O)N(C)C(C)CBr.
What is the InChIKey of 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide?
The InChIKey is LPDYEHNGLKJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8-6-10(14)4-5-11(8)12(16)15(3)9(2)7-13/h4-6,9H,7H2,1-3H3.
What are the key properties of 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide?
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide has a molecular weight of 349.07 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 104556235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).