4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

C18H20INO2 — CID 100684625

IUPAC4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H20INO2/c1-4-16(14-7-10-17(22-3)12(2)11-14)20-18(21)13-5-8-15(19)9-6-13/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyGMHJOIWGNYXCAH-INIZCTEOSA-N
MW409.27 g/mol
LogP4.49
Rot. Bonds5

About 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 100684625) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID100684625
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H20INO2/c1-4-16(14-7-10-17(22-3)12(2)11-14)20-18(21)13-5-8-15(19)9-6-13/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyGMHJOIWGNYXCAH-INIZCTEOSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.49
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

4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 133161272
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]thiophene-2-carboxamide
CID 100620479
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210076

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 100684625) is 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is GMHJOIWGNYXCAH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20INO2/c1-4-16(14-7-10-17(22-3)12(2)11-14)20-18(21)13-5-8-15(19)9-6-13/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 409.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100684625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).