N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide

C17H18INO3 — CID 2204890

IUPACN-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C)c(I)cc1C
InChIInChI=1S/C17H18INO3/c1-10-9-13(11(2)8-12(10)18)19-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyNBPQGKMGOYHIMW-UHFFFAOYSA-N
MW411.24 g/mol
LogP4.18
Rot. Bonds4

About N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide

N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide (PubChem CID 2204890) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
PubChem CID2204890
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C)c(I)cc1C
InChIInChI=1S/C17H18INO3/c1-10-9-13(11(2)8-12(10)18)19-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyNBPQGKMGOYHIMW-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 54.18
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-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
CID 154835907
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
CID 1297117
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide (CID 2204890) is N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1cc(C)c(I)cc1C.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide?
The InChIKey is NBPQGKMGOYHIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO3/c1-10-9-13(11(2)8-12(10)18)19-17(20)16-14(21-3)6-5-7-15(16)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide?
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide has a molecular weight of 411.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 2204890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).