N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide

C17H17ClINO3 — CID 3878206

IUPACN-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2Cl)cc(I)c1OCC
InChIInChI=1S/C17H17ClINO3/c1-3-22-15-10-11(9-13(19)16(15)23-4-2)17(21)20-14-8-6-5-7-12(14)18/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyZHUFRYOWYHFMGW-UHFFFAOYSA-N
MW445.68 g/mol
LogP4.99
Rot. Bonds6

About N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide

N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide (PubChem CID 3878206) has the molecular formula C17H17ClINO3 and a molecular weight of 445.68 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
PubChem CID3878206
Molecular FormulaC17H17ClINO3
Molecular Weight445.68 g/mol
Exact Mass444.99
IUPAC NameN-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2Cl)cc(I)c1OCC
InChIInChI=1S/C17H17ClINO3/c1-3-22-15-10-11(9-13(19)16(15)23-4-2)17(21)20-14-8-6-5-7-12(14)18/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyZHUFRYOWYHFMGW-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.68
LogP ≤ 54.99
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-bromo-N-(2-chlorophenyl)-5-ethoxy-4-propoxybenzamide
CID 5034614
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide?
The IUPAC name of N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide (CID 3878206) is N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide is CCOc1cc(C(=O)Nc2ccccc2Cl)cc(I)c1OCC.
What is the InChIKey of N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide?
The InChIKey is ZHUFRYOWYHFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO3/c1-3-22-15-10-11(9-13(19)16(15)23-4-2)17(21)20-14-8-6-5-7-12(14)18/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide?
N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide has a molecular weight of 445.68 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide is sourced from PubChem (CID 3878206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).