N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide

C12H13F2N3O3 — CID 108528944

IUPACN'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
SMILESO=CNCCCNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3O3/c13-8-2-3-9(14)10(6-8)17-12(20)11(19)16-5-1-4-15-7-18/h2-3,6-7H,1,4-5H2,(H,15,18)(H,16,19)(H,17,20)
InChIKeyWAIUGVPSGUGGRN-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.16
Rot. Bonds6

About N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide

N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide (PubChem CID 108528944) has the molecular formula C12H13F2N3O3 and a molecular weight of 285.25 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
PubChem CID108528944
Molecular FormulaC12H13F2N3O3
Molecular Weight285.25 g/mol
Exact Mass285.09
IUPAC NameN'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide
SMILESO=CNCCCNC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C12H13F2N3O3/c13-8-2-3-9(14)10(6-8)17-12(20)11(19)16-5-1-4-15-7-18/h2-3,6-7H,1,4-5H2,(H,15,18)(H,16,19)(H,17,20)
InChIKeyWAIUGVPSGUGGRN-UHFFFAOYSA-N
XLogP0.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-difluorophenyl)-N-prop-2-enyloxamide
CID 7585077
N'-(2,5-difluorophenyl)-N-(3-hydroxybutyl)oxamide
CID 111337517
N'-(2,5-difluorophenyl)-N-[2-(furan-3-yl)ethyl]oxamide
CID 90558490
N'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
CID 108511953
2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
CID 82547187
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
CID 108528884
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide (CID 108528944) is N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide is O=CNCCCNC(=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide?
The InChIKey is WAIUGVPSGUGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3/c13-8-2-3-9(14)10(6-8)17-12(20)11(19)16-5-1-4-15-7-18/h2-3,6-7H,1,4-5H2,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide?
N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide has a molecular weight of 285.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(3-formamidopropyl)oxamide is sourced from PubChem (CID 108528944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).