N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide

C19H22INO3 — CID 4033767

IUPACN-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(I)cc(C(=O)Nc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C19H22INO3/c1-5-8-24-18-15(20)10-14(11-17(18)23-4)19(22)21-16-9-12(2)6-7-13(16)3/h6-7,9-11H,5,8H2,1-4H3,(H,21,22)
InChIKeyZUZOESHVPICMMF-UHFFFAOYSA-N
MW439.29 g/mol
LogP4.96
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide

N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide (PubChem CID 4033767) has the molecular formula C19H22INO3 and a molecular weight of 439.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide
PubChem CID4033767
Molecular FormulaC19H22INO3
Molecular Weight439.29 g/mol
Exact Mass439.06
IUPAC NameN-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(I)cc(C(=O)Nc2cc(C)ccc2C)cc1OC
InChIInChI=1S/C19H22INO3/c1-5-8-24-18-15(20)10-14(11-17(18)23-4)19(22)21-16-9-12(2)6-7-13(16)3/h6-7,9-11H,5,8H2,1-4H3,(H,21,22)
InChIKeyZUZOESHVPICMMF-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-5-methoxy-N-(2-methoxyphenyl)-4-propoxybenzamide
CID 4541836
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 35774326
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 126259987
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-[(2,5-dimethylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1139114
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide (CID 4033767) is N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide is CCCOc1c(I)cc(C(=O)Nc2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide?
The InChIKey is ZUZOESHVPICMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO3/c1-5-8-24-18-15(20)10-14(11-17(18)23-4)19(22)21-16-9-12(2)6-7-13(16)3/h6-7,9-11H,5,8H2,1-4H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide?
N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide has a molecular weight of 439.29 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 4033767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).