4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide

C17H17ClINO3 — CID 55891092

IUPAC4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C17H17ClINO3/c1-11-3-6-15(16(9-11)23-8-7-22-2)20-17(21)12-4-5-13(18)14(19)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyNASGSSRVFOLASK-UHFFFAOYSA-N
MW445.68 g/mol
LogP4.53
Rot. Bonds6

About 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide

4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide (PubChem CID 55891092) has the molecular formula C17H17ClINO3 and a molecular weight of 445.68 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
PubChem CID55891092
Molecular FormulaC17H17ClINO3
Molecular Weight445.68 g/mol
Exact Mass444.99
IUPAC Name4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C17H17ClINO3/c1-11-3-6-15(16(9-11)23-8-7-22-2)20-17(21)12-4-5-13(18)14(19)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyNASGSSRVFOLASK-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide?
The IUPAC name of 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide (CID 55891092) is 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide is COCCOc1cc(C)ccc1NC(=O)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide?
The InChIKey is NASGSSRVFOLASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO3/c1-11-3-6-15(16(9-11)23-8-7-22-2)20-17(21)12-4-5-13(18)14(19)10-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide?
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide has a molecular weight of 445.68 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide is sourced from PubChem (CID 55891092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).