N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide

C20H22INO2 — CID 171053918

IUPACN-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide
SMILESCOc1cccc(C[C@@H](NC(=O)c2ccc(I)cc2)C2CCC2)c1
InChIInChI=1S/C20H22INO2/c1-24-18-7-2-4-14(12-18)13-19(15-5-3-6-15)22-20(23)16-8-10-17(21)11-9-16/h2,4,7-12,15,19H,3,5-6,13H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyYXSSKVKASYWODG-LJQANCHMSA-N
MW435.31 g/mol
LogP4.44
Rot. Bonds6

About N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide

N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide (PubChem CID 171053918) has the molecular formula C20H22INO2 and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide
PubChem CID171053918
Molecular FormulaC20H22INO2
Molecular Weight435.31 g/mol
Exact Mass435.07
IUPAC NameN-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide
SMILESCOc1cccc(C[C@@H](NC(=O)c2ccc(I)cc2)C2CCC2)c1
InChIInChI=1S/C20H22INO2/c1-24-18-7-2-4-14(12-18)13-19(15-5-3-6-15)22-20(23)16-8-10-17(21)11-9-16/h2,4,7-12,15,19H,3,5-6,13H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyYXSSKVKASYWODG-LJQANCHMSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.44
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

1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272
N-[1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 86798387
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-1-hydroxycyclobutane-1-carboxamide
CID 99856040
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97244499
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
1-cyclobutyl-2-(3-methoxyphenyl)ethanol
CID 63017891
4-(cyclobutylsulfamoyl)-N-[(2S)-1-(3-methoxyphenyl)hexan-2-yl]benzamide
CID 155125219
3-cyclopropyl-3-[(3-methoxyphenyl)methylamino]propanoic acid
CID 134162150
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[1-[(1-cyclopentyl-2-phenylethyl)amino]-1-oxopropan-2-yl]benzamide
CID 86945414
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-methoxybenzamide
CID 61123002
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide?
The IUPAC name of N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide (CID 171053918) is N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide.
What is the SMILES notation for N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide?
The canonical SMILES for N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide is COc1cccc(C[C@@H](NC(=O)c2ccc(I)cc2)C2CCC2)c1.
What is the InChIKey of N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide?
The InChIKey is YXSSKVKASYWODG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22INO2/c1-24-18-7-2-4-14(12-18)13-19(15-5-3-6-15)22-20(23)16-8-10-17(21)11-9-16/h2,4,7-12,15,19H,3,5-6,13H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide?
N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide has a molecular weight of 435.31 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclobutyl-2-(3-methoxyphenyl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 171053918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).