N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide

C14H14INO2 — CID 47168762

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H14INO2/c1-10(9-13-3-2-8-18-13)16-14(17)11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyGTSUASRUFPKUIC-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.25
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide

N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide (PubChem CID 47168762) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
PubChem CID47168762
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H14INO2/c1-10(9-13-3-2-8-18-13)16-14(17)11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyGTSUASRUFPKUIC-UHFFFAOYSA-N
XLogP3.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
N-[1-(furan-2-yl)propan-2-yl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 55620096
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
CID 55614668
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
CID 97020373
2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
3-[(4-iodobenzoyl)amino]butanoic acid
CID 43240598

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide (CID 47168762) is N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide is CC(Cc1ccco1)NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide?
The InChIKey is GTSUASRUFPKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-10(9-13-3-2-8-18-13)16-14(17)11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide?
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide has a molecular weight of 355.18 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide is sourced from PubChem (CID 47168762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).