4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide

C14H10IN5O — CID 26729235

IUPAC4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H10IN5O/c15-11-3-1-10(2-4-11)14(21)17-12-5-7-13(8-6-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyTZTYSDKFAMYJLX-UHFFFAOYSA-N
MW391.17 g/mol
LogP2.52
Rot. Bonds3

About 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide

4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 26729235) has the molecular formula C14H10IN5O and a molecular weight of 391.17 g/mol. Its IUPAC name is 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID26729235
Molecular FormulaC14H10IN5O
Molecular Weight391.17 g/mol
Exact Mass390.99
IUPAC Name4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(I)cc1
InChIInChI=1S/C14H10IN5O/c15-11-3-1-10(2-4-11)14(21)17-12-5-7-13(8-6-12)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyTZTYSDKFAMYJLX-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 52.52
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

N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[4-[[4-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 9450376
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61295474

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 26729235) is 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is TZTYSDKFAMYJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN5O/c15-11-3-1-10(2-4-11)14(21)17-12-5-7-13(8-6-12)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide?
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 391.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 26729235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).