N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide

C13H17BrN2O3 — CID 4614833

IUPACN'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-2-19-9-5-8-15-12(17)13(18)16-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyVAVITATYALRVEL-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.93
Rot. Bonds6

About N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide

N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide (PubChem CID 4614833) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
PubChem CID4614833
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-2-19-9-5-8-15-12(17)13(18)16-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyVAVITATYALRVEL-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524350
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47147953
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
1-(2,5-dibromophenyl)-3-(3-ethoxypropyl)thiourea
CID 115579453
N-butyl-N'-(2-hydroxyphenyl)oxamide
CID 108505091
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
1-(2-bromo-5-methylphenyl)-3-(3-ethoxypropyl)thiourea
CID 116509706

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide (CID 4614833) is N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide?
The InChIKey is VAVITATYALRVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-2-19-9-5-8-15-12(17)13(18)16-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide?
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide has a molecular weight of 329.19 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 4614833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).