N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide

C14H13IN2O3 — CID 24664556

IUPACN-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H13IN2O3/c1-9(16-14(19)12-6-3-7-20-12)13(18)17-11-5-2-4-10(15)8-11/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyABANHRKTMDAUQT-UHFFFAOYSA-N
MW384.17 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 24664556) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID24664556
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC NameN-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H13IN2O3/c1-9(16-14(19)12-6-3-7-20-12)13(18)17-11-5-2-4-10(15)8-11/h2-9H,1H3,(H,16,19)(H,17,18)
InChIKeyABANHRKTMDAUQT-UHFFFAOYSA-N
XLogP2.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 86830485
N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 86931910
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738110
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
CID 146098608
N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24576002

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 24664556) is N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1cccc(I)c1.
What is the InChIKey of N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is ABANHRKTMDAUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3/c1-9(16-14(19)12-6-3-7-20-12)13(18)17-11-5-2-4-10(15)8-11/h2-9H,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 384.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24664556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).