N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C12H14INO — CID 139750970

IUPACN-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I
InChIInChI=1S/C12H14INO/c1-8(15)14-12-10-5-3-2-4-9(10)6-7-11(12)13/h2-5,11-12H,6-7H2,1H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyTTZPORRRVMWPDY-NWDGAFQWSA-N
MW315.15 g/mol
LogP2.61
Rot. Bonds1

About N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 139750970) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID139750970
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC NameN-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I
InChIInChI=1S/C12H14INO/c1-8(15)14-12-10-5-3-2-4-9(10)6-7-11(12)13/h2-5,11-12H,6-7H2,1H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyTTZPORRRVMWPDY-NWDGAFQWSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 92533265
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetamide
CID 2753031
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 162747128
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977349
(1-acetamido-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 87314664
N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 147490367
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 77081814
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 139750970) is N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I.
What is the InChIKey of N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is TTZPORRRVMWPDY-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H14INO/c1-8(15)14-12-10-5-3-2-4-9(10)6-7-11(12)13/h2-5,11-12H,6-7H2,1H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 315.15 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 139750970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).