3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide

C12H15Br2NO — CID 80666003

IUPAC3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CC(C)Br
InChIInChI=1S/C12H15Br2NO/c1-8(13)7-15(3)12(16)10-5-4-6-11(14)9(10)2/h4-6,8H,7H2,1-3H3
InChIKeyNQDNXHDGIDXJCU-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.61
Rot. Bonds3

About 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide

3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide (PubChem CID 80666003) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
PubChem CID80666003
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CC(C)Br
InChIInChI=1S/C12H15Br2NO/c1-8(13)7-15(3)12(16)10-5-4-6-11(14)9(10)2/h4-6,8H,7H2,1-3H3
InChIKeyNQDNXHDGIDXJCU-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

N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 115759781
3-bromo-N-[2-(2-bromoethoxy)ethyl]-N,2-dimethylbenzamide
CID 114242783
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide (CID 80666003) is 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide is Cc1c(Br)cccc1C(=O)N(C)CC(C)Br.
What is the InChIKey of 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide?
The InChIKey is NQDNXHDGIDXJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8(13)7-15(3)12(16)10-5-4-6-11(14)9(10)2/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide?
3-bromo-N-(2-bromopropyl)-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 3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 80666003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).