3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide

C14H14INO2 — CID 121344916

IUPAC3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(I)CC(N)=O)ccc2c1
InChIInChI=1S/C14H14INO2/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)13(15)8-14(16)17/h2-7,13H,8H2,1H3,(H2,16,17)
InChIKeyZAQFKBOQVQMCSW-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.20
Rot. Bonds4

About 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide

3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 121344916) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID121344916
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(I)CC(N)=O)ccc2c1
InChIInChI=1S/C14H14INO2/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)13(15)8-14(16)17/h2-7,13H,8H2,1H3,(H2,16,17)
InChIKeyZAQFKBOQVQMCSW-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide
CID 116849020
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide (CID 121344916) is 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(I)CC(N)=O)ccc2c1.
What is the InChIKey of 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is ZAQFKBOQVQMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)13(15)8-14(16)17/h2-7,13H,8H2,1H3,(H2,16,17).
What are the key properties of 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide?
3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 355.18 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 121344916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).