N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide

C19H17I2N5O2 — CID 17307952

IUPACN-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide
SMILESCCCCn1nnc(N(C(=O)c2ccccc2I)C(=O)c2ccccc2I)n1
InChIInChI=1S/C19H17I2N5O2/c1-2-3-12-25-23-19(22-24-25)26(17(27)13-8-4-6-10-15(13)20)18(28)14-9-5-7-11-16(14)21/h4-11H,2-3,12H2,1H3
InChIKeyLEZDLNCLIBQSBA-UHFFFAOYSA-N
MW601.19 g/mol
LogP4.17
Rot. Bonds6

About N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide

N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide (PubChem CID 17307952) has the molecular formula C19H17I2N5O2 and a molecular weight of 601.19 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide
PubChem CID17307952
Molecular FormulaC19H17I2N5O2
Molecular Weight601.19 g/mol
Exact Mass600.95
IUPAC NameN-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide
SMILESCCCCn1nnc(N(C(=O)c2ccccc2I)C(=O)c2ccccc2I)n1
InChIInChI=1S/C19H17I2N5O2/c1-2-3-12-25-23-19(22-24-25)26(17(27)13-8-4-6-10-15(13)20)18(28)14-9-5-7-11-16(14)21/h4-11H,2-3,12H2,1H3
InChIKeyLEZDLNCLIBQSBA-UHFFFAOYSA-N
XLogP4.17
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.19
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
N-[(1E)-buta-1,3-dienyl]-N-butyl-2-iodobenzamide
CID 11337195
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
N-[(2-butyltetrazol-5-yl)carbamothioyl]-2-methoxybenzamide
CID 4203974
3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)-1-phenylurea
CID 15230638
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481
2-iodobenzoate;tetrabutylazanium
CID 156506348
2-butyl-5-propyltetrazole
CID 69034353
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599

Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide (CID 17307952) is N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide is CCCCn1nnc(N(C(=O)c2ccccc2I)C(=O)c2ccccc2I)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide?
The InChIKey is LEZDLNCLIBQSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17I2N5O2/c1-2-3-12-25-23-19(22-24-25)26(17(27)13-8-4-6-10-15(13)20)18(28)14-9-5-7-11-16(14)21/h4-11H,2-3,12H2,1H3.
What are the key properties of N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide?
N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide has a molecular weight of 601.19 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2-iodo-N-(2-iodobenzoyl)benzamide is sourced from PubChem (CID 17307952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).