N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide

C17H19IN2O — CID 86934394

IUPACN-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide
SMILESCCN(C)c1ccccc1NC(=O)c1cc(C)ccc1I
InChIInChI=1S/C17H19IN2O/c1-4-20(3)16-8-6-5-7-15(16)19-17(21)13-11-12(2)9-10-14(13)18/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyIKPPNVYFFOPGLH-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.31
Rot. Bonds4

About N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide

N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide (PubChem CID 86934394) has the molecular formula C17H19IN2O and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide
PubChem CID86934394
Molecular FormulaC17H19IN2O
Molecular Weight394.26 g/mol
Exact Mass394.05
IUPAC NameN-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide
SMILESCCN(C)c1ccccc1NC(=O)c1cc(C)ccc1I
InChIInChI=1S/C17H19IN2O/c1-4-20(3)16-8-6-5-7-15(16)19-17(21)13-11-12(2)9-10-14(13)18/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyIKPPNVYFFOPGLH-UHFFFAOYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide
CID 106760779
2-(ethylamino)-N-(2-iodophenyl)-5-methylbenzamide
CID 62508809
1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
CID 86934393
2-hydrazinyl-N-(2-iodophenyl)-5-methylbenzamide
CID 62512985
N-(2,4-dichlorophenyl)-2-[ethyl(methyl)amino]benzamide
CID 155514070
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
2-chloro-N-(2-iodophenyl)-4-methylbenzamide
CID 106491010
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide (CID 86934394) is N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide is CCN(C)c1ccccc1NC(=O)c1cc(C)ccc1I.
What is the InChIKey of N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide?
The InChIKey is IKPPNVYFFOPGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN2O/c1-4-20(3)16-8-6-5-7-15(16)19-17(21)13-11-12(2)9-10-14(13)18/h5-11H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide?
N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide has a molecular weight of 394.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]phenyl]-2-iodo-5-methylbenzamide is sourced from PubChem (CID 86934394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).