4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide

C14H12ClN7O2 — CID 166984084

IUPAC4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide
SMILESO=C(NCCOc1ncc(-c2nn[nH]n2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN7O2/c15-11-3-1-9(2-4-11)13(23)16-5-6-24-14-17-7-10(8-18-14)12-19-21-22-20-12/h1-4,7-8H,5-6H2,(H,16,23)(H,19,20,21,22)
InChIKeyCZEKJKRUWWRVHL-UHFFFAOYSA-N
MW345.75 g/mol
LogP1.12
Rot. Bonds6

About 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide

4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide (PubChem CID 166984084) has the molecular formula C14H12ClN7O2 and a molecular weight of 345.75 g/mol. Its IUPAC name is 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide
PubChem CID166984084
Molecular FormulaC14H12ClN7O2
Molecular Weight345.75 g/mol
Exact Mass345.07
IUPAC Name4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide
SMILESO=C(NCCOc1ncc(-c2nn[nH]n2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN7O2/c15-11-3-1-9(2-4-11)13(23)16-5-6-24-14-17-7-10(8-18-14)12-19-21-22-20-12/h1-4,7-8H,5-6H2,(H,16,23)(H,19,20,21,22)
InChIKeyCZEKJKRUWWRVHL-UHFFFAOYSA-N
XLogP1.12
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
CID 162753036
4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
CID 162753020
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 33106435
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 114469543
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide (CID 166984084) is 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide is O=C(NCCOc1ncc(-c2nn[nH]n2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide?
The InChIKey is CZEKJKRUWWRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7O2/c15-11-3-1-9(2-4-11)13(23)16-5-6-24-14-17-7-10(8-18-14)12-19-21-22-20-12/h1-4,7-8H,5-6H2,(H,16,23)(H,19,20,21,22).
What are the key properties of 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide?
4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide has a molecular weight of 345.75 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide is sourced from PubChem (CID 166984084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).