N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide

C23H20ClN5O2 — CID 25254654

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C23H20ClN5O2/c1-31-22-5-3-2-4-21(22)17-12-18(14-20(13-17)29-15-26-27-28-29)23(30)25-11-10-16-6-8-19(24)9-7-16/h2-9,12-15H,10-11H2,1H3,(H,25,30)
InChIKeyLOMNTYQVQUNMGC-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide

N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 25254654) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID25254654
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)cc(-n2cnnn2)c1
InChIInChI=1S/C23H20ClN5O2/c1-31-22-5-3-2-4-21(22)17-12-18(14-20(13-17)29-15-26-27-28-29)23(30)25-11-10-16-6-8-19(24)9-7-16/h2-9,12-15H,10-11H2,1H3,(H,25,30)
InChIKeyLOMNTYQVQUNMGC-UHFFFAOYSA-N
XLogP3.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide 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 N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide (CID 25254654) is N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide is COc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is LOMNTYQVQUNMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-31-22-5-3-2-4-21(22)17-12-18(14-20(13-17)29-15-26-27-28-29)23(30)25-11-10-16-6-8-19(24)9-7-16/h2-9,12-15H,10-11H2,1H3,(H,25,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 433.90 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25254654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).