N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide

C17H18INO3 — CID 2206635

IUPACN-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)c(I)cc2C)c1
InChIInChI=1S/C17H18INO3/c1-10-6-16(11(2)5-15(10)18)19-17(20)12-7-13(21-3)9-14(8-12)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyZICDKFFILBYTAK-UHFFFAOYSA-N
MW411.24 g/mol
LogP4.18
Rot. Bonds4

About N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide

N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide (PubChem CID 2206635) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
PubChem CID2206635
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)c(I)cc2C)c1
InChIInChI=1S/C17H18INO3/c1-10-6-16(11(2)5-15(10)18)19-17(20)12-7-13(21-3)9-14(8-12)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyZICDKFFILBYTAK-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

3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
CID 1297117
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-(5-iodo-2-methylphenyl)-3-methoxybenzamide
CID 1047120

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide (CID 2206635) is N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(C)c(I)cc2C)c1.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is ZICDKFFILBYTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO3/c1-10-6-16(11(2)5-15(10)18)19-17(20)12-7-13(21-3)9-14(8-12)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide?
N-(4-iodo-2,5-dimethylphenyl)-3,5-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)-3,5-dimethoxybenzamide is sourced from PubChem (CID 2206635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).