N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide

C15H18INO — CID 122692199

IUPACN-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide
SMILESCC1(c2ccccc2)CC1CN(I)C(=O)C1CC1
InChIInChI=1S/C15H18INO/c1-15(12-5-3-2-4-6-12)9-13(15)10-17(16)14(18)11-7-8-11/h2-6,11,13H,7-10H2,1H3
InChIKeyKDOAAQLEWHYGQN-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.55
Rot. Bonds4

About N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide

N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide (PubChem CID 122692199) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide
PubChem CID122692199
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC NameN-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide
SMILESCC1(c2ccccc2)CC1CN(I)C(=O)C1CC1
InChIInChI=1S/C15H18INO/c1-15(12-5-3-2-4-6-12)9-13(15)10-17(16)14(18)11-7-8-11/h2-6,11,13H,7-10H2,1H3
InChIKeyKDOAAQLEWHYGQN-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide (CID 122692199) is N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide is CC1(c2ccccc2)CC1CN(I)C(=O)C1CC1.
What is the InChIKey of N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide?
The InChIKey is KDOAAQLEWHYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-15(12-5-3-2-4-6-12)9-13(15)10-17(16)14(18)11-7-8-11/h2-6,11,13H,7-10H2,1H3.
What are the key properties of N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide?
N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide has a molecular weight of 355.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-[(2-methyl-2-phenylcyclopropyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 122692199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).