N-cyclopentyl-4-iodo-3-methoxybenzamide

C13H16INO2 — CID 155908716

IUPACN-cyclopentyl-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2)ccc1I
InChIInChI=1S/C13H16INO2/c1-17-12-8-9(6-7-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyMAMYGHGOOKDTED-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.97
Rot. Bonds3

About N-cyclopentyl-4-iodo-3-methoxybenzamide

N-cyclopentyl-4-iodo-3-methoxybenzamide (PubChem CID 155908716) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is N-cyclopentyl-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-iodo-3-methoxybenzamide
PubChem CID155908716
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC NameN-cyclopentyl-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2)ccc1I
InChIInChI=1S/C13H16INO2/c1-17-12-8-9(6-7-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyMAMYGHGOOKDTED-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.97
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

N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-(1-bicyclo[1.1.1]pentanyl)-4-iodo-3-methoxybenzamide
CID 172646951
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-iodo-3-methoxybenzamide?
The IUPAC name of N-cyclopentyl-4-iodo-3-methoxybenzamide (CID 155908716) is N-cyclopentyl-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-4-iodo-3-methoxybenzamide is COc1cc(C(=O)NC2CCCC2)ccc1I.
What is the InChIKey of N-cyclopentyl-4-iodo-3-methoxybenzamide?
The InChIKey is MAMYGHGOOKDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c1-17-12-8-9(6-7-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of N-cyclopentyl-4-iodo-3-methoxybenzamide?
N-cyclopentyl-4-iodo-3-methoxybenzamide has a molecular weight of 345.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 155908716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).