[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

C18H15F2IN2O4 — CID 30316908

IUPAC[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)Nc1cccc(I)c1
InChIInChI=1S/C18H15F2IN2O4/c19-11-4-5-14(15(20)8-11)18(26)22-7-6-17(25)27-10-16(24)23-13-3-1-2-12(21)9-13/h1-5,8-9H,6-7,10H2,(H,22,26)(H,23,24)
InChIKeyBVJPRMANUOSXGR-UHFFFAOYSA-N
MW488.23 g/mol
LogP2.87
Rot. Bonds7

About [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (PubChem CID 30316908) has the molecular formula C18H15F2IN2O4 and a molecular weight of 488.23 g/mol. Its IUPAC name is [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
PubChem CID30316908
Molecular FormulaC18H15F2IN2O4
Molecular Weight488.23 g/mol
Exact Mass488.00
IUPAC Name[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)Nc1cccc(I)c1
InChIInChI=1S/C18H15F2IN2O4/c19-11-4-5-14(15(20)8-11)18(26)22-7-6-17(25)27-10-16(24)23-13-3-1-2-12(21)9-13/h1-5,8-9H,6-7,10H2,(H,22,26)(H,23,24)
InChIKeyBVJPRMANUOSXGR-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.23
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816347
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30315978
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
[2-(3-fluoroanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197279
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816277
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 34715649
N-[3-(3-ethynylanilino)-3-oxopropyl]-2,4-difluorobenzamide
CID 134043041
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(2,4-difluorobenzoyl)amino]butanoate
CID 30319864
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094

Frequently Asked Questions

What is the IUPAC name of [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The IUPAC name of [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (CID 30316908) is [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is O=C(COC(=O)CCNC(=O)c1ccc(F)cc1F)Nc1cccc(I)c1.
What is the InChIKey of [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The InChIKey is BVJPRMANUOSXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2IN2O4/c19-11-4-5-14(15(20)8-11)18(26)22-7-6-17(25)27-10-16(24)23-13-3-1-2-12(21)9-13/h1-5,8-9H,6-7,10H2,(H,22,26)(H,23,24).
What are the key properties of [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
[2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate has a molecular weight of 488.23 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-iodoanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is sourced from PubChem (CID 30316908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).