N-butyl-3,5-diiodo-4-methoxybenzamide

C12H15I2NO2 — CID 24834302

IUPACN-butyl-3,5-diiodo-4-methoxybenzamide
SMILESCCCCNC(=O)c1cc(I)c(OC)c(I)c1
InChIInChI=1S/C12H15I2NO2/c1-3-4-5-15-12(16)8-6-9(13)11(17-2)10(14)7-8/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyWASKHBDMPAOTQG-UHFFFAOYSA-N
MW459.07 g/mol
LogP3.43
Rot. Bonds5

About N-butyl-3,5-diiodo-4-methoxybenzamide

N-butyl-3,5-diiodo-4-methoxybenzamide (PubChem CID 24834302) has the molecular formula C12H15I2NO2 and a molecular weight of 459.07 g/mol. Its IUPAC name is N-butyl-3,5-diiodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-butyl-3,5-diiodo-4-methoxybenzamide
PubChem CID24834302
Molecular FormulaC12H15I2NO2
Molecular Weight459.07 g/mol
Exact Mass458.92
IUPAC NameN-butyl-3,5-diiodo-4-methoxybenzamide
SMILESCCCCNC(=O)c1cc(I)c(OC)c(I)c1
InChIInChI=1S/C12H15I2NO2/c1-3-4-5-15-12(16)8-6-9(13)11(17-2)10(14)7-8/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyWASKHBDMPAOTQG-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.07
LogP ≤ 53.43
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'}

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Related Compounds

N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-diiodo-4-methoxybenzamide?
The IUPAC name of N-butyl-3,5-diiodo-4-methoxybenzamide (CID 24834302) is N-butyl-3,5-diiodo-4-methoxybenzamide.
What is the SMILES notation for N-butyl-3,5-diiodo-4-methoxybenzamide?
The canonical SMILES for N-butyl-3,5-diiodo-4-methoxybenzamide is CCCCNC(=O)c1cc(I)c(OC)c(I)c1.
What is the InChIKey of N-butyl-3,5-diiodo-4-methoxybenzamide?
The InChIKey is WASKHBDMPAOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15I2NO2/c1-3-4-5-15-12(16)8-6-9(13)11(17-2)10(14)7-8/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-3,5-diiodo-4-methoxybenzamide?
N-butyl-3,5-diiodo-4-methoxybenzamide has a molecular weight of 459.07 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-diiodo-4-methoxybenzamide is sourced from PubChem (CID 24834302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).