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

C19H22INO2 — CID 43875821

IUPAC4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C19H22INO2/c1-13(2)12-18(14-6-10-17(23-3)11-7-14)21-19(22)15-4-8-16(20)9-5-15/h4-11,13,18H,12H2,1-3H3,(H,21,22)
InChIKeyVHRVKGPWOMTQND-UHFFFAOYSA-N
MW423.29 g/mol
LogP4.82
Rot. Bonds6

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

4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 43875821) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID43875821
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC Name4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C19H22INO2/c1-13(2)12-18(14-6-10-17(23-3)11-7-14)21-19(22)15-4-8-16(20)9-5-15/h4-11,13,18H,12H2,1-3H3,(H,21,22)
InChIKeyVHRVKGPWOMTQND-UHFFFAOYSA-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-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
2-iodo-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92677839
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92673224
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 92674510
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiophene-2-carboxamide
CID 93486739
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 94019166
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 43875821) is 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc(C(CC(C)C)NC(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is VHRVKGPWOMTQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO2/c1-13(2)12-18(14-6-10-17(23-3)11-7-14)21-19(22)15-4-8-16(20)9-5-15/h4-11,13,18H,12H2,1-3H3,(H,21,22).
What are the key properties of 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
4-iodo-N-[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 4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 43875821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).