3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide

C21H17ClINO3 — CID 5017519

IUPAC3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(I)c2)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClINO3/c1-26-20-18(22)10-15(21(25)24-17-9-5-8-16(23)12-17)11-19(20)27-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyXCDIGNQRTAEHNA-UHFFFAOYSA-N
MW493.73 g/mol
LogP5.78
Rot. Bonds6

About 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide

3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide (PubChem CID 5017519) has the molecular formula C21H17ClINO3 and a molecular weight of 493.73 g/mol. Its IUPAC name is 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
PubChem CID5017519
Molecular FormulaC21H17ClINO3
Molecular Weight493.73 g/mol
Exact Mass492.99
IUPAC Name3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(I)c2)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClINO3/c1-26-20-18(22)10-15(21(25)24-17-9-5-8-16(23)12-17)11-19(20)27-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyXCDIGNQRTAEHNA-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'}

Analyze 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-(3-chlorophenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 3558686
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
N-(3-chloro-4-methylphenyl)-3-iodo-4-methoxy-5-phenylmethoxybenzamide
CID 126370837
N-(3-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243538
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)-5-phenylmethoxybenzamide
CID 5035331
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3,5-dichloro-4-methoxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46448262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide (CID 5017519) is 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cccc(I)c2)cc1OCc1ccccc1.
What is the InChIKey of 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide?
The InChIKey is XCDIGNQRTAEHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClINO3/c1-26-20-18(22)10-15(21(25)24-17-9-5-8-16(23)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 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide?
3-chloro-N-(3-iodophenyl)-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 3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide is sourced from PubChem (CID 5017519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).