N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide

C17H14IN5O — CID 46548478

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(I)cc1
InChIInChI=1S/C17H14IN5O/c18-13-5-1-12(2-6-13)17(24)19-14-7-3-11(4-8-14)16-20-21-22-23(16)15-9-10-15/h1-8,15H,9-10H2,(H,19,24)
InChIKeyNEJMYXDVKIKEIJ-UHFFFAOYSA-N
MW431.24 g/mol
LogP3.53
Rot. Bonds4

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide (PubChem CID 46548478) has the molecular formula C17H14IN5O and a molecular weight of 431.24 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
PubChem CID46548478
Molecular FormulaC17H14IN5O
Molecular Weight431.24 g/mol
Exact Mass431.02
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(I)cc1
InChIInChI=1S/C17H14IN5O/c18-13-5-1-12(2-6-13)17(24)19-14-7-3-11(4-8-14)16-20-21-22-23(16)15-9-10-15/h1-8,15H,9-10H2,(H,19,24)
InChIKeyNEJMYXDVKIKEIJ-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.24
LogP ≤ 53.53
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-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30765806
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 55698362
N-cyclopropyl-4-[(E)-3-[4-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 46423867
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871891
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
CID 86893928
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide (CID 46548478) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide is O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(I)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide?
The InChIKey is NEJMYXDVKIKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN5O/c18-13-5-1-12(2-6-13)17(24)19-14-7-3-11(4-8-14)16-20-21-22-23(16)15-9-10-15/h1-8,15H,9-10H2,(H,19,24).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide has a molecular weight of 431.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide is sourced from PubChem (CID 46548478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).