N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide

C13H16BrFN2O3 — CID 47147953

IUPACN'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3/c1-2-20-7-3-6-16-12(18)13(19)17-11-5-4-9(14)8-10(11)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyJVPFNIHMGSJMHW-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.07
Rot. Bonds6

About N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide

N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide (PubChem CID 47147953) has the molecular formula C13H16BrFN2O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
PubChem CID47147953
Molecular FormulaC13H16BrFN2O3
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC NameN'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3/c1-2-20-7-3-6-16-12(18)13(19)17-11-5-4-9(14)8-10(11)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyJVPFNIHMGSJMHW-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.07
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

4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
N'-(4-bromo-2-fluorophenyl)-N-(3-methylbutyl)oxamide
CID 47147984
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
1-(2,5-dibromophenyl)-3-(3-ethoxypropyl)thiourea
CID 115579453
N-(4-bromo-2-fluorophenyl)-2-oxopropanamide
CID 144805374
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
N'-(4-bromo-2-methylphenyl)-N-hexyloxamide
CID 47148018
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide (CID 47147953) is N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide?
The InChIKey is JVPFNIHMGSJMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3/c1-2-20-7-3-6-16-12(18)13(19)17-11-5-4-9(14)8-10(11)15/h4-5,8H,2-3,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide?
N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide has a molecular weight of 347.18 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorophenyl)-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 47147953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).