2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

C19H22INO2 — CID 92677839

IUPAC2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H22INO2/c1-13(2)12-18(14-8-10-15(23-3)11-9-14)21-19(22)16-6-4-5-7-17(16)20/h4-11,13,18H,12H2,1-3H3,(H,21,22)/t18-/m1/s1
InChIKeyHBOZNVZNYYQLHA-GOSISDBHSA-N
MW423.29 g/mol
LogP4.82
Rot. Bonds6

About 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 92677839) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID92677839
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC Name2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C19H22INO2/c1-13(2)12-18(14-8-10-15(23-3)11-9-14)21-19(22)16-6-4-5-7-17(16)20/h4-11,13,18H,12H2,1-3H3,(H,21,22)/t18-/m1/s1
InChIKeyHBOZNVZNYYQLHA-GOSISDBHSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 54.82
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-[1-(4-methoxyphenyl)-3-methylbutyl]-2-propan-2-ylsulfanylbenzamide
CID 132655838
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 92672317
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
CID 100743522

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 92677839) is 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is HBOZNVZNYYQLHA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22INO2/c1-13(2)12-18(14-8-10-15(23-3)11-9-14)21-19(22)16-6-4-5-7-17(16)20/h4-11,13,18H,12H2,1-3H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide has a molecular weight of 423.29 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 92677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).