5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide

C13H15ClINO2 — CID 104957603

IUPAC5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Cl)ccc1I
InChIInChI=1S/C13H15ClINO2/c14-9-1-2-11(15)10(7-9)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyMBNDSTUFKPIQFY-UHFFFAOYSA-N
MW379.63 g/mol
LogP2.84
Rot. Bonds5

About 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide

5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide (PubChem CID 104957603) has the molecular formula C13H15ClINO2 and a molecular weight of 379.63 g/mol. Its IUPAC name is 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
PubChem CID104957603
Molecular FormulaC13H15ClINO2
Molecular Weight379.63 g/mol
Exact Mass378.98
IUPAC Name5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Cl)ccc1I
InChIInChI=1S/C13H15ClINO2/c14-9-1-2-11(15)10(7-9)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyMBNDSTUFKPIQFY-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
5-amino-2-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755659
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2-iodo-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762311
4-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 114758174
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 115455970

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide (CID 104957603) is 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide is O=C(NCC1(CCO)CC1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide?
The InChIKey is MBNDSTUFKPIQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO2/c14-9-1-2-11(15)10(7-9)12(18)16-8-13(3-4-13)5-6-17/h1-2,7,17H,3-6,8H2,(H,16,18).
What are the key properties of 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide?
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide has a molecular weight of 379.63 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 104957603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).