3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide

C15H17IN2O2 — CID 43783342

IUPAC3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C15H17IN2O2/c1-10(2)18-15(19)11-4-3-5-12(8-11)17-9-13-6-7-14(16)20-13/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyITCUKLIWNAMKHR-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.63
Rot. Bonds5

About 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide

3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 43783342) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
PubChem CID43783342
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC Name3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C15H17IN2O2/c1-10(2)18-15(19)11-4-3-5-12(8-11)17-9-13-6-7-14(16)20-13/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyITCUKLIWNAMKHR-UHFFFAOYSA-N
XLogP3.63
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.63
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

3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
CID 43768412
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
CID 43222502
N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
CID 62329239
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934712
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 66413497
1-N-[(5-iodofuran-2-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297515
4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
CID 43693975
N-methyl-3-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43767535

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide (CID 43783342) is 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NCc2ccc(I)o2)c1.
What is the InChIKey of 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is ITCUKLIWNAMKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-10(2)18-15(19)11-4-3-5-12(8-11)17-9-13-6-7-14(16)20-13/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 384.22 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 43783342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).