2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide

C12H14INO — CID 115581693

IUPAC2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CNC(=O)c1ccccc1I
InChIInChI=1S/C12H14INO/c1-8-6-9(8)7-14-12(15)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyHBKRLRHOOWSTFA-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.68
Rot. Bonds3

About 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide

2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 115581693) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID115581693
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC Name2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CNC(=O)c1ccccc1I
InChIInChI=1S/C12H14INO/c1-8-6-9(8)7-14-12(15)10-4-2-3-5-11(10)13/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyHBKRLRHOOWSTFA-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115597703
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
2-iodo-N-prop-2-ynylbenzamide
CID 18110013
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
N-but-2-ynyl-2-iodobenzamide
CID 115866883
2-(hydroxymethyl)-N-[[4-(hydroxymethyl)-2-methylcyclohexyl]methyl]benzamide
CID 67073784
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide (CID 115581693) is 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide is CC1CC1CNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is HBKRLRHOOWSTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c1-8-6-9(8)7-14-12(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-[(2-methylcyclopropyl)methyl]benzamide?
2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 315.15 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 115581693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).