N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide

C21H16ClN5O — CID 16799246

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16ClN5O/c22-18-10-12-19(13-11-18)27-20(24-25-26-27)14-23-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,23,28)
InChIKeyHQXWZZKNQBJQDP-UHFFFAOYSA-N
MW389.85 g/mol
LogP3.91
Rot. Bonds5

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide (PubChem CID 16799246) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
PubChem CID16799246
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16ClN5O/c22-18-10-12-19(13-11-18)27-20(24-25-26-27)14-23-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,23,28)
InChIKeyHQXWZZKNQBJQDP-UHFFFAOYSA-N
XLogP3.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide 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

4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
N,N-dimethyl-5-[[(4-phenylbenzoyl)amino]methyl]tetrazole-1-carboxamide
CID 24795719
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
3-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565554
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
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 N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide (CID 16799246) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide is O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide?
The InChIKey is HQXWZZKNQBJQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c22-18-10-12-19(13-11-18)27-20(24-25-26-27)14-23-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,23,28).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide has a molecular weight of 389.85 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 16799246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).