(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide

C16H16INO2 — CID 1008812

IUPAC(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)Oc1ccc(I)cc1
InChIInChI=1S/C16H16INO2/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyQQIJONZWYORPAC-LBPRGKRZSA-N
MW381.21 g/mol
LogP4.01
Rot. Bonds4

About (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide

(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide (PubChem CID 1008812) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
PubChem CID1008812
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)Oc1ccc(I)cc1
InChIInChI=1S/C16H16INO2/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyQQIJONZWYORPAC-LBPRGKRZSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.01
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

(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2R)-2-(4-acetylphenoxy)-N-(2-methylphenyl)propanamide
CID 2621439
N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
CID 43327286
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
2-(3,5-dichlorophenoxy)-N-(2-methylphenyl)propanamide
CID 112778065
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 19191588
(2R)-N-(2-iodophenyl)-2-phenoxypropanamide
CID 1124071
N-(4-methoxyphenyl)-4-[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7709088
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide (CID 1008812) is (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(I)cc1.
What is the InChIKey of (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide?
The InChIKey is QQIJONZWYORPAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11-5-3-4-6-15(11)18-16(19)12(2)20-14-9-7-13(17)8-10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide?
(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide has a molecular weight of 381.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 1008812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).