5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C16H12ClIN4O2 — CID 55608636

IUPAC5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H12ClIN4O2/c1-24-15-7-14(18)13(17)6-12(15)16(23)21-10-2-4-11(5-3-10)22-9-19-8-20-22/h2-9H,1H3,(H,21,23)
InChIKeyBOYSCLODFWGNQA-UHFFFAOYSA-N
MW454.66 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55608636) has the molecular formula C16H12ClIN4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55608636
Molecular FormulaC16H12ClIN4O2
Molecular Weight454.66 g/mol
Exact Mass453.97
IUPAC Name5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H12ClIN4O2/c1-24-15-7-14(18)13(17)6-12(15)16(23)21-10-2-4-11(5-3-10)22-9-19-8-20-22/h2-9H,1H3,(H,21,23)
InChIKeyBOYSCLODFWGNQA-UHFFFAOYSA-N
XLogP3.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121357
2-N-(3-chloro-4-methoxyphenyl)-5-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2,5-dicarboxamide
CID 58816348
5-chloro-4-iodo-2-methoxy-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881478
5-chloro-4-iodo-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 112820278
5-chloro-4-iodo-2-methoxy-N-(3-methoxyphenyl)benzamide
CID 52577352
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
2-methoxy-N-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]-5-sulfamoylbenzamide
CID 51134168
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55608636) is 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is COc1cc(I)c(Cl)cc1C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is BOYSCLODFWGNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN4O2/c1-24-15-7-14(18)13(17)6-12(15)16(23)21-10-2-4-11(5-3-10)22-9-19-8-20-22/h2-9H,1H3,(H,21,23).
What are the key properties of 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 454.66 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55608636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).