N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide

C22H19ClINO3 — CID 126370837

IUPACN-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
SMILESCOc1c(I)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H19ClINO3/c1-14-8-9-17(12-18(14)23)25-22(26)16-10-19(24)21(27-2)20(11-16)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyYHWJNEJLTIRVQD-UHFFFAOYSA-N
MW507.76 g/mol
LogP6.09
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide

N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide (PubChem CID 126370837) has the molecular formula C22H19ClINO3 and a molecular weight of 507.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
PubChem CID126370837
Molecular FormulaC22H19ClINO3
Molecular Weight507.76 g/mol
Exact Mass507.01
IUPAC NameN-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
SMILESCOc1c(I)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H19ClINO3/c1-14-8-9-17(12-18(14)23)25-22(26)16-10-19(24)21(27-2)20(11-16)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,26)
InChIKeyYHWJNEJLTIRVQD-UHFFFAOYSA-N
XLogP6.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.76
LogP ≤ 56.09
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

N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-bromo-N-(3-chloro-4-methylphenyl)-5-methoxy-4-[(4-methylphenyl)methoxy]benzamide
CID 5036494
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
(E)-N-(3-chloro-4-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057812
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide (CID 126370837) is N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide is COc1c(I)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
The InChIKey is YHWJNEJLTIRVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClINO3/c1-14-8-9-17(12-18(14)23)25-22(26)16-10-19(24)21(27-2)20(11-16)28-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide?
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide has a molecular weight of 507.76 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide is sourced from PubChem (CID 126370837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).