N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide

C17H18INO — CID 95356330

IUPACN-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H18INO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyHEIJDZIXCRQMPY-GFCCVEGCSA-N
MW379.24 g/mol
LogP4.34
Rot. Bonds4

About N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide (PubChem CID 95356330) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
PubChem CID95356330
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
SMILESCCc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H18INO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyHEIJDZIXCRQMPY-GFCCVEGCSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.34
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

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133161416
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide?
The IUPAC name of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide (CID 95356330) is N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide?
The canonical SMILES for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide is CCc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide?
The InChIKey is HEIJDZIXCRQMPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18INO/c1-3-13-4-6-14(7-5-13)12(2)19-17(20)15-8-10-16(18)11-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide?
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide has a molecular weight of 379.24 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 95356330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).