2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C13H14IN3O — CID 19452041

IUPAC2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1ccccc1I
InChIInChI=1S/C13H14IN3O/c1-16(9-10-7-8-17(2)15-10)13(18)11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3
InChIKeyFAWXPEWPPXFCLJ-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.30
Rot. Bonds3

About 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19452041) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19452041
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1ccccc1I
InChIInChI=1S/C13H14IN3O/c1-16(9-10-7-8-17(2)15-10)13(18)11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3
InChIKeyFAWXPEWPPXFCLJ-UHFFFAOYSA-N
XLogP2.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-nitrobenzamide
CID 19452047
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452287
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19452057
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817
4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
CID 19620319
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19452066
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
N,1-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide
CID 19277972

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19452041) is 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is CN(Cc1ccn(C)n1)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is FAWXPEWPPXFCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-16(9-10-7-8-17(2)15-10)13(18)11-5-3-4-6-12(11)14/h3-8H,9H2,1-2H3.
What are the key properties of 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 355.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19452041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).