N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide

C21H17ClINO3 — CID 3558686

IUPACN-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
SMILESCOc1c(I)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClINO3/c1-26-20-18(23)10-15(21(25)24-17-9-5-8-16(22)12-17)11-19(20)27-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyKIOJNQGBWRWXQQ-UHFFFAOYSA-N
MW493.73 g/mol
LogP5.78
Rot. Bonds6

About N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide

N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide (PubChem CID 3558686) has the molecular formula C21H17ClINO3 and a molecular weight of 493.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
PubChem CID3558686
Molecular FormulaC21H17ClINO3
Molecular Weight493.73 g/mol
Exact Mass492.99
IUPAC NameN-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
SMILESCOc1c(I)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClINO3/c1-26-20-18(23)10-15(21(25)24-17-9-5-8-16(22)12-17)11-19(20)27-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyKIOJNQGBWRWXQQ-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.73
LogP ≤ 55.78
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-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 126370837
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
4-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
CID 11327512
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide (CID 3558686) is N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide is COc1c(I)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
The InChIKey is KIOJNQGBWRWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClINO3/c1-26-20-18(23)10-15(21(25)24-17-9-5-8-16(22)12-17)11-19(20)27-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide has a molecular weight of 493.73 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide is sourced from PubChem (CID 3558686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).