N-butyl-5-iodo-2-methoxybenzamide

C12H16INO2 — CID 132553879

IUPACN-butyl-5-iodo-2-methoxybenzamide
SMILESCCCCNC(=O)c1cc(I)ccc1OC
InChIInChI=1S/C12H16INO2/c1-3-4-7-14-12(15)10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyASDVYZSFYXZTCM-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.83
Rot. Bonds5

About N-butyl-5-iodo-2-methoxybenzamide

N-butyl-5-iodo-2-methoxybenzamide (PubChem CID 132553879) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is N-butyl-5-iodo-2-methoxybenzamide.

Molecular Properties

Compound NameN-butyl-5-iodo-2-methoxybenzamide
PubChem CID132553879
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC NameN-butyl-5-iodo-2-methoxybenzamide
SMILESCCCCNC(=O)c1cc(I)ccc1OC
InChIInChI=1S/C12H16INO2/c1-3-4-7-14-12(15)10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyASDVYZSFYXZTCM-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-5-iodo-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
2-methoxy-N-tridecylbenzamide
CID 139819873
2-ethyl-1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43339711
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-iodo-2-methoxybenzamide?
The IUPAC name of N-butyl-5-iodo-2-methoxybenzamide (CID 132553879) is N-butyl-5-iodo-2-methoxybenzamide.
What is the SMILES notation for N-butyl-5-iodo-2-methoxybenzamide?
The canonical SMILES for N-butyl-5-iodo-2-methoxybenzamide is CCCCNC(=O)c1cc(I)ccc1OC.
What is the InChIKey of N-butyl-5-iodo-2-methoxybenzamide?
The InChIKey is ASDVYZSFYXZTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-3-4-7-14-12(15)10-8-9(13)5-6-11(10)16-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-butyl-5-iodo-2-methoxybenzamide?
N-butyl-5-iodo-2-methoxybenzamide has a molecular weight of 333.17 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-iodo-2-methoxybenzamide is sourced from PubChem (CID 132553879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).