2-iodo-N-(3-methoxycyclobutyl)benzamide

C12H14INO2 — CID 104578374

IUPAC2-iodo-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccccc2I)C1
InChIInChI=1S/C12H14INO2/c1-16-9-6-8(7-9)14-12(15)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyFQGCJGSMTVBACB-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.20
Rot. Bonds3

About 2-iodo-N-(3-methoxycyclobutyl)benzamide

2-iodo-N-(3-methoxycyclobutyl)benzamide (PubChem CID 104578374) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-iodo-N-(3-methoxycyclobutyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(3-methoxycyclobutyl)benzamide
PubChem CID104578374
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name2-iodo-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2ccccc2I)C1
InChIInChI=1S/C12H14INO2/c1-16-9-6-8(7-9)14-12(15)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyFQGCJGSMTVBACB-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.20
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

2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
2-hydroxy-5-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104600964
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
1-hydroxy-N-(3-methoxycyclobutyl)naphthalene-2-carboxamide
CID 104578704
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108559708
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-methoxycyclobutyl)benzamide?
The IUPAC name of 2-iodo-N-(3-methoxycyclobutyl)benzamide (CID 104578374) is 2-iodo-N-(3-methoxycyclobutyl)benzamide.
What is the SMILES notation for 2-iodo-N-(3-methoxycyclobutyl)benzamide?
The canonical SMILES for 2-iodo-N-(3-methoxycyclobutyl)benzamide is COC1CC(NC(=O)c2ccccc2I)C1.
What is the InChIKey of 2-iodo-N-(3-methoxycyclobutyl)benzamide?
The InChIKey is FQGCJGSMTVBACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-16-9-6-8(7-9)14-12(15)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-iodo-N-(3-methoxycyclobutyl)benzamide?
2-iodo-N-(3-methoxycyclobutyl)benzamide has a molecular weight of 331.15 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(3-methoxycyclobutyl)benzamide is sourced from PubChem (CID 104578374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).