3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide

C18H20INO2 — CID 124560386

IUPAC3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
SMILESCOC[C@H](C)NC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C18H20INO2/c1-12-4-6-14(7-5-12)15-8-16(10-17(19)9-15)18(21)20-13(2)11-22-3/h4-10,13H,11H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyOMXPEWGGFVDWOB-ZDUSSCGKSA-N
MW409.27 g/mol
LogP4.03
Rot. Bonds5

About 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide

3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide (PubChem CID 124560386) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
PubChem CID124560386
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC Name3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
SMILESCOC[C@H](C)NC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C18H20INO2/c1-12-4-6-14(7-5-12)15-8-16(10-17(19)9-15)18(21)20-13(2)11-22-3/h4-10,13H,11H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyOMXPEWGGFVDWOB-ZDUSSCGKSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 42641824
3-[(E)-3-(dimethylamino)prop-2-enethioyl]-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 87106742
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503
3-iodo-N-(2-methylbutan-2-yl)-5-(4-methylphenyl)benzamide
CID 126572715
N-(1-methoxypropan-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132702510
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The IUPAC name of 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide (CID 124560386) is 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The canonical SMILES for 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide is COC[C@H](C)NC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The InChIKey is OMXPEWGGFVDWOB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20INO2/c1-12-4-6-14(7-5-12)15-8-16(10-17(19)9-15)18(21)20-13(2)11-22-3/h4-10,13H,11H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide?
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide has a molecular weight of 409.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 124560386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).