(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C19H20INO2 — CID 100547354

IUPAC(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H20INO2/c1-13(19(22)21-17-9-7-16(20)8-10-17)23-18-11-6-14-4-2-3-5-15(14)12-18/h6-13H,2-5H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyCEOHRBJTQLFSTI-ZDUSSCGKSA-N
MW421.28 g/mol
LogP4.58
Rot. Bonds4

About (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100547354) has the molecular formula C19H20INO2 and a molecular weight of 421.28 g/mol. Its IUPAC name is (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100547354
Molecular FormulaC19H20INO2
Molecular Weight421.28 g/mol
Exact Mass421.05
IUPAC Name(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H20INO2/c1-13(19(22)21-17-9-7-16(20)8-10-17)23-18-11-6-14-4-2-3-5-15(14)12-18/h6-13H,2-5H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyCEOHRBJTQLFSTI-ZDUSSCGKSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 54.58
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-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
N-[4-(1-adamantyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133201667
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187551
N-(2,6-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160032
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160545

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100547354) is (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is CEOHRBJTQLFSTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20INO2/c1-13(19(22)21-17-9-7-16(20)8-10-17)23-18-11-6-14-4-2-3-5-15(14)12-18/h6-13H,2-5H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 421.28 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100547354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).