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

C17H18INO3 — CID 1296960

IUPACN-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1OC
InChIInChI=1S/C17H18INO3/c1-10-8-14(11(2)7-13(10)18)19-17(20)12-5-6-15(21-3)16(9-12)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyNPHMEGUQCTVGNG-UHFFFAOYSA-N
MW411.24 g/mol
LogP4.18
Rot. Bonds4

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

N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide (PubChem CID 1296960) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
PubChem CID1296960
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1OC
InChIInChI=1S/C17H18INO3/c1-10-8-14(11(2)7-13(10)18)19-17(20)12-5-6-15(21-3)16(9-12)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyNPHMEGUQCTVGNG-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)-3,4-dimethylbenzamide
CID 1297117
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide (CID 1296960) is N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1OC.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is NPHMEGUQCTVGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO3/c1-10-8-14(11(2)7-13(10)18)19-17(20)12-5-6-15(21-3)16(9-12)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide?
N-(4-iodo-2,5-dimethylphenyl)-3,4-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)-3,4-dimethoxybenzamide is sourced from PubChem (CID 1296960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).