N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide

C15H14INO2 — CID 60731680

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
SMILESO=C(c1ccc(I)cc1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C15H14INO2/c16-12-5-3-11(4-6-12)15(18)17(13-7-8-13)10-14-2-1-9-19-14/h1-6,9,13H,7-8,10H2
InChIKeyVNGXDTFPSLJCEB-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide

N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide (PubChem CID 60731680) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
PubChem CID60731680
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
SMILESO=C(c1ccc(I)cc1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C15H14INO2/c16-12-5-3-11(4-6-12)15(18)17(13-7-8-13)10-14-2-1-9-19-14/h1-6,9,13H,7-8,10H2
InChIKeyVNGXDTFPSLJCEB-UHFFFAOYSA-N
XLogP3.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
N-cyclopentyl-4-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)benzamide
CID 86926762
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-cyclopropyl-N-(furan-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905612
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-indole-6-carboxamide
CID 56797541

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide (CID 60731680) is N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide is O=C(c1ccc(I)cc1)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide?
The InChIKey is VNGXDTFPSLJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c16-12-5-3-11(4-6-12)15(18)17(13-7-8-13)10-14-2-1-9-19-14/h1-6,9,13H,7-8,10H2.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide?
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide has a molecular weight of 367.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide is sourced from PubChem (CID 60731680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).