2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide

C14H17Br2NO2 — CID 103883141

IUPAC2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOCC1CC1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2NO2/c1-17(6-7-19-9-10-2-3-10)14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyLPHNRAJDXBZAOQ-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.71
Rot. Bonds6

About 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide

2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide (PubChem CID 103883141) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
PubChem CID103883141
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOCC1CC1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2NO2/c1-17(6-7-19-9-10-2-3-10)14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyLPHNRAJDXBZAOQ-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 75458341
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide (CID 103883141) is 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide is CN(CCOCC1CC1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
The InChIKey is LPHNRAJDXBZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c1-17(6-7-19-9-10-2-3-10)14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide has a molecular weight of 391.10 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 103883141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).