4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C17H13ClIN3O — CID 55711340

IUPAC4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C17H13ClIN3O/c18-15-7-4-13(10-16(15)19)17(23)20-11-12-2-5-14(6-3-12)22-9-1-8-21-22/h1-10H,11H2,(H,20,23)
InChIKeyFLMXOBKILIQTNS-UHFFFAOYSA-N
MW437.67 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 55711340) has the molecular formula C17H13ClIN3O and a molecular weight of 437.67 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID55711340
Molecular FormulaC17H13ClIN3O
Molecular Weight437.67 g/mol
Exact Mass436.98
IUPAC Name4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1ccc(Cl)c(I)c1
InChIInChI=1S/C17H13ClIN3O/c18-15-7-4-13(10-16(15)19)17(23)20-11-12-2-5-14(6-3-12)22-9-1-8-21-22/h1-10H,11H2,(H,20,23)
InChIKeyFLMXOBKILIQTNS-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.67
LogP ≤ 54.06
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

N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 9405597
N-[(4-chloro-3-iodophenyl)methyl]naphthalene-2-carboxamide
CID 140976581
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55702862
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
3-(prop-2-ynylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 46468352
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
CID 158896039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 55711340) is 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(-n2cccn2)cc1)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is FLMXOBKILIQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClIN3O/c18-15-7-4-13(10-16(15)19)17(23)20-11-12-2-5-14(6-3-12)22-9-1-8-21-22/h1-10H,11H2,(H,20,23).
What are the key properties of 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 437.67 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55711340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).