2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide

C16H15IN6O2 — CID 139773748

IUPAC2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
SMILESCOc1ccc(Cn2nnnc2NC(=O)c2cc(I)ccc2N)cc1
InChIInChI=1S/C16H15IN6O2/c1-25-12-5-2-10(3-6-12)9-23-16(20-21-22-23)19-15(24)13-8-11(17)4-7-14(13)18/h2-8H,9,18H2,1H3,(H,19,20,22,24)
InChIKeyIFZUBTFAHFZYAV-UHFFFAOYSA-N
MW450.24 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide

2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide (PubChem CID 139773748) has the molecular formula C16H15IN6O2 and a molecular weight of 450.24 g/mol. Its IUPAC name is 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
PubChem CID139773748
Molecular FormulaC16H15IN6O2
Molecular Weight450.24 g/mol
Exact Mass450.03
IUPAC Name2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
SMILESCOc1ccc(Cn2nnnc2NC(=O)c2cc(I)ccc2N)cc1
InChIInChI=1S/C16H15IN6O2/c1-25-12-5-2-10(3-6-12)9-23-16(20-21-22-23)19-15(24)13-8-11(17)4-7-14(13)18/h2-8H,9,18H2,1H3,(H,19,20,22,24)
InChIKeyIFZUBTFAHFZYAV-UHFFFAOYSA-N
XLogP2.17
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
CID 115412666
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
benzyl N-[(2S)-3-hydroxy-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-1-oxopropan-2-yl]carbamate
CID 139635601
ethyl 2-[3-iodo-5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenoxy]acetate
CID 23019881
methyl 3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propanoate
CID 69189007
N-[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-5-nitrobenzamide
CID 142710036
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
5-amino-N-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20862642
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide?
The IUPAC name of 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide (CID 139773748) is 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide is COc1ccc(Cn2nnnc2NC(=O)c2cc(I)ccc2N)cc1.
What is the InChIKey of 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide?
The InChIKey is IFZUBTFAHFZYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN6O2/c1-25-12-5-2-10(3-6-12)9-23-16(20-21-22-23)19-15(24)13-8-11(17)4-7-14(13)18/h2-8H,9,18H2,1H3,(H,19,20,22,24).
What are the key properties of 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide?
2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide has a molecular weight of 450.24 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-N-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 139773748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).