N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide

C15H15IN2O2 — CID 43768412

IUPACN-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C15H15IN2O2/c16-14-7-6-13(20-14)9-17-12-3-1-2-10(8-12)15(19)18-11-4-5-11/h1-3,6-8,11,17H,4-5,9H2,(H,18,19)
InChIKeyWJUOCHOWXQYJDY-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.39
Rot. Bonds5

About N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide

N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide (PubChem CID 43768412) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
PubChem CID43768412
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide
SMILESO=C(NC1CC1)c1cccc(NCc2ccc(I)o2)c1
InChIInChI=1S/C15H15IN2O2/c16-14-7-6-13(20-14)9-17-12-3-1-2-10(8-12)15(19)18-11-4-5-11/h1-3,6-8,11,17H,4-5,9H2,(H,18,19)
InChIKeyWJUOCHOWXQYJDY-UHFFFAOYSA-N
XLogP3.39
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.39
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-cyclopropyl-3-[(4,5-dibromofuran-2-yl)methylamino]benzamide
CID 62083752
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 162638258
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
N-cyclopropyl-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656504
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide (CID 43768412) is N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide is O=C(NC1CC1)c1cccc(NCc2ccc(I)o2)c1.
What is the InChIKey of N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide?
The InChIKey is WJUOCHOWXQYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-14-7-6-13(20-14)9-17-12-3-1-2-10(8-12)15(19)18-11-4-5-11/h1-3,6-8,11,17H,4-5,9H2,(H,18,19).
What are the key properties of N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide?
N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide has a molecular weight of 382.20 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5-iodofuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 43768412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).