3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide

C14H17Br2NO2 — CID 113349801

IUPAC3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOCC1CC1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H17Br2NO2/c1-17(4-5-19-9-10-2-3-10)14(18)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyWLCZBUQVCIJGPU-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.71
Rot. Bonds6

About 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide

3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide (PubChem CID 113349801) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
PubChem CID113349801
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
SMILESCN(CCOCC1CC1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H17Br2NO2/c1-17(4-5-19-9-10-2-3-10)14(18)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyWLCZBUQVCIJGPU-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

(2-Bromophenyl)(morpholino)methanone
CID 532184
4-(4-Bromobenzoyl)morpholine
CID 532148
4-(3-Bromobenzoyl)morpholine
CID 531993
3-bromo-N,N-bis(2-methylpropyl)benzamide
CID 2932246
4-(5-Bromo-2-fluorobenzoyl)morpholine
CID 24212574
4-(3-Bromo-4-methylbenzoyl)morpholine
CID 730215
4-(4-Bromobenzoyl)-2,6-dimethylmorpholine
CID 2851560
3-bromo-N-(1-methoxypropan-2-yl)benzamide
CID 2905278
3-bromo-N-butyl-N-ethylbenzamide
CID 2164019
(3,5-Dibromophenyl)(pyrrolidin-1-yl)methanone
CID 701151
1-(3,5-Dibromobenzoyl)azepane
CID 1015751
Benzamide, N,N-dibutyl-3-bromo-
CID 533307

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide (CID 113349801) is 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide is CN(CCOCC1CC1)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
The InChIKey is WLCZBUQVCIJGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c1-17(4-5-19-9-10-2-3-10)14(18)11-6-12(15)8-13(16)7-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide?
3,5-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 3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 113349801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).