4-iodo-N-(2-methylcyclopropyl)benzamide

C11H12INO — CID 58185353

IUPAC4-iodo-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H12INO/c1-7-6-10(7)13-11(14)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3,(H,13,14)
InChIKeyYVTQJJAQOWFFLN-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.43
Rot. Bonds2

About 4-iodo-N-(2-methylcyclopropyl)benzamide

4-iodo-N-(2-methylcyclopropyl)benzamide (PubChem CID 58185353) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 4-iodo-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2-methylcyclopropyl)benzamide
PubChem CID58185353
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name4-iodo-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H12INO/c1-7-6-10(7)13-11(14)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3,(H,13,14)
InChIKeyYVTQJJAQOWFFLN-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.43
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-(2,5-dimethylcyclohexyl)-4-iodobenzamide
CID 4265183
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-(2-tert-butylcyclohexyl)-4-iodobenzamide
CID 63525981
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
N-(3-ethoxycyclobutyl)-4-iodobenzamide
CID 102610594
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
3-bromo-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 55210410

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 4-iodo-N-(2-methylcyclopropyl)benzamide (CID 58185353) is 4-iodo-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 4-iodo-N-(2-methylcyclopropyl)benzamide is CC1CC1NC(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-methylcyclopropyl)benzamide?
The InChIKey is YVTQJJAQOWFFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c1-7-6-10(7)13-11(14)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3,(H,13,14).
What are the key properties of 4-iodo-N-(2-methylcyclopropyl)benzamide?
4-iodo-N-(2-methylcyclopropyl)benzamide has a molecular weight of 301.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 58185353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).