N-[4-(diethylamino)phenyl]-3-iodobenzamide

C17H19IN2O — CID 2665797

IUPACN-[4-(diethylamino)phenyl]-3-iodobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IN2O/c1-3-20(4-2)16-10-8-15(9-11-16)19-17(21)13-6-5-7-14(18)12-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyJSQICXWGJKANOJ-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.39
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-3-iodobenzamide

N-[4-(diethylamino)phenyl]-3-iodobenzamide (PubChem CID 2665797) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-iodobenzamide
PubChem CID2665797
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN-[4-(diethylamino)phenyl]-3-iodobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C17H19IN2O/c1-3-20(4-2)16-10-8-15(9-11-16)19-17(21)13-6-5-7-14(18)12-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyJSQICXWGJKANOJ-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
3-N-[4-(diethylamino)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050428
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-3-iodobenzamide
CID 23096267
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-iodobenzamide (CID 2665797) is N-[4-(diethylamino)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-iodobenzamide is CCN(CC)c1ccc(NC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-iodobenzamide?
The InChIKey is JSQICXWGJKANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-3-20(4-2)16-10-8-15(9-11-16)19-17(21)13-6-5-7-14(18)12-13/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(diethylamino)phenyl]-3-iodobenzamide?
N-[4-(diethylamino)phenyl]-3-iodobenzamide has a molecular weight of 394.26 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-iodobenzamide is sourced from PubChem (CID 2665797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).