3-iodo-N-methylnaphthalene-2-carboxamide

C12H10INO — CID 133056320

IUPAC3-iodo-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccccc2cc1I
InChIInChI=1S/C12H10INO/c1-14-12(15)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyIEVLBVUQTALNIG-UHFFFAOYSA-N
MW311.12 g/mol
LogP2.80
Rot. Bonds1

About 3-iodo-N-methylnaphthalene-2-carboxamide

3-iodo-N-methylnaphthalene-2-carboxamide (PubChem CID 133056320) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is 3-iodo-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-iodo-N-methylnaphthalene-2-carboxamide
PubChem CID133056320
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name3-iodo-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccccc2cc1I
InChIInChI=1S/C12H10INO/c1-14-12(15)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyIEVLBVUQTALNIG-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
ethane;methyl 3-iodonaphthalene-2-carboxylate
CID 91057809
3-iodonaphthalene-2-carboxylic acid
CID 11460714
3-iodonaphthalene-2-carboxamide
CID 133060342
2,5-diiodo-N-methylbenzamide
CID 131072416
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
CID 61189207
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 54318680
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
CID 70080980
CID 70080980

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-iodo-N-methylnaphthalene-2-carboxamide (CID 133056320) is 3-iodo-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-iodo-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-iodo-N-methylnaphthalene-2-carboxamide is CNC(=O)c1cc2ccccc2cc1I.
What is the InChIKey of 3-iodo-N-methylnaphthalene-2-carboxamide?
The InChIKey is IEVLBVUQTALNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO/c1-14-12(15)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,1H3,(H,14,15).
What are the key properties of 3-iodo-N-methylnaphthalene-2-carboxamide?
3-iodo-N-methylnaphthalene-2-carboxamide has a molecular weight of 311.12 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 133056320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).