5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide

C11H9ClIN3O2 — CID 61394014

IUPAC5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H9ClIN3O2/c1-18-9-5-8(13)7(12)4-6(9)11(17)15-10-2-3-14-16-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyUXGLZQORDDKEOZ-UHFFFAOYSA-N
MW377.57 g/mol
LogP2.93
Rot. Bonds3

About 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide

5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61394014) has the molecular formula C11H9ClIN3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61394014
Molecular FormulaC11H9ClIN3O2
Molecular Weight377.57 g/mol
Exact Mass376.94
IUPAC Name5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H9ClIN3O2/c1-18-9-5-8(13)7(12)4-6(9)11(17)15-10-2-3-14-16-10/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyUXGLZQORDDKEOZ-UHFFFAOYSA-N
XLogP2.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393926
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 52577352
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-iodo-2-methoxybenzamide
CID 104817412
2-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 61393108
methyl 5-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]thiophene-2-carboxylate
CID 39103430
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 106181558
5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55608636
2-hydroxy-5-iodo-N-(1H-pyrazol-5-yl)benzamide
CID 103710669
5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide
CID 52696142
5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide (CID 61394014) is 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide is COc1cc(I)c(Cl)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is UXGLZQORDDKEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClIN3O2/c1-18-9-5-8(13)7(12)4-6(9)11(17)15-10-2-3-14-16-10/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide?
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 377.57 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61394014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).