4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide

C16H14F2N6O2 — CID 135358229

IUPAC4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
SMILESNCc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1
InChIInChI=1S/C16H14F2N6O2/c17-13-5-11(16(25)22-26)6-14(18)12(13)8-24-21-15(20-23-24)10-3-1-9(7-19)2-4-10/h1-6,26H,7-8,19H2,(H,22,25)
InChIKeyDSJRDWLKMOXVKP-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.24
Rot. Bonds5

About 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide

4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide (PubChem CID 135358229) has the molecular formula C16H14F2N6O2 and a molecular weight of 360.32 g/mol. Its IUPAC name is 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
PubChem CID135358229
Molecular FormulaC16H14F2N6O2
Molecular Weight360.32 g/mol
Exact Mass360.11
IUPAC Name4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide
SMILESNCc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1
InChIInChI=1S/C16H14F2N6O2/c17-13-5-11(16(25)22-26)6-14(18)12(13)8-24-21-15(20-23-24)10-3-1-9(7-19)2-4-10/h1-6,26H,7-8,19H2,(H,22,25)
InChIKeyDSJRDWLKMOXVKP-UHFFFAOYSA-N
XLogP1.24
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
The IUPAC name of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide (CID 135358229) is 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide is NCc1ccc(-c2nnn(Cc3c(F)cc(C(=O)NO)cc3F)n2)cc1.
What is the InChIKey of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
The InChIKey is DSJRDWLKMOXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O2/c17-13-5-11(16(25)22-26)6-14(18)12(13)8-24-21-15(20-23-24)10-3-1-9(7-19)2-4-10/h1-6,26H,7-8,19H2,(H,22,25).
What are the key properties of 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide?
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide has a molecular weight of 360.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluoro-N-hydroxybenzamide is sourced from PubChem (CID 135358229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).