4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide

C15H11ClFN5O — CID 27548864

IUPAC4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN5O/c16-11-3-1-10(2-4-11)15(23)18-9-14-19-20-21-22(14)13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,23)
InChIKeyJLKKJMWGUIUXSC-UHFFFAOYSA-N
MW331.74 g/mol
LogP2.38
Rot. Bonds4

About 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide

4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 27548864) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID27548864
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN5O/c16-11-3-1-10(2-4-11)15(23)18-9-14-19-20-21-22(14)13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,23)
InChIKeyJLKKJMWGUIUXSC-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 16799307
2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide (CID 27548864) is 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is JLKKJMWGUIUXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-11-3-1-10(2-4-11)15(23)18-9-14-19-20-21-22(14)13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,23).
What are the key properties of 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 331.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 27548864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).