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

C17H18INO — CID 1297117

IUPACN-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1C
InChIInChI=1S/C17H18INO/c1-10-5-6-14(7-11(10)2)17(20)19-16-9-12(3)15(18)8-13(16)4/h5-9H,1-4H3,(H,19,20)
InChIKeyFCCFIUNNOGWLEP-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.78
Rot. Bonds2

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

N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide (PubChem CID 1297117) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
PubChem CID1297117
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1C
InChIInChI=1S/C17H18INO/c1-10-5-6-14(7-11(10)2)17(20)19-16-9-12(3)15(18)8-13(16)4/h5-9H,1-4H3,(H,19,20)
InChIKeyFCCFIUNNOGWLEP-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 17104856
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
CID 22782458
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide (CID 1297117) is N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1C.
What is the InChIKey of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide?
The InChIKey is FCCFIUNNOGWLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-10-5-6-14(7-11(10)2)17(20)19-16-9-12(3)15(18)8-13(16)4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide?
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide has a molecular weight of 379.24 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 1297117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).