3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide

C11H9ClIN3O — CID 103734986

IUPAC3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C11H9ClIN3O/c1-16-6-8(5-14-16)15-11(17)7-2-3-10(13)9(12)4-7/h2-6H,1H3,(H,15,17)
InChIKeyCTQFTHOXFULQCE-UHFFFAOYSA-N
MW361.57 g/mol
LogP2.93
Rot. Bonds2

About 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide

3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 103734986) has the molecular formula C11H9ClIN3O and a molecular weight of 361.57 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID103734986
Molecular FormulaC11H9ClIN3O
Molecular Weight361.57 g/mol
Exact Mass360.95
IUPAC Name3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C11H9ClIN3O/c1-16-6-8(5-14-16)15-11(17)7-2-3-10(13)9(12)4-7/h2-6H,1H3,(H,15,17)
InChIKeyCTQFTHOXFULQCE-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
N-(6-bromo-5-methyl-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114050472
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
3-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-iodobenzamide
CID 103222262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide (CID 103734986) is 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(I)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is CTQFTHOXFULQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3O/c1-16-6-8(5-14-16)15-11(17)7-2-3-10(13)9(12)4-7/h2-6H,1H3,(H,15,17).
What are the key properties of 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide?
3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 361.57 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 103734986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).