N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine

C17H17Cl2N5O2 — CID 4727668

IUPACN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,20,21,22,23,24)
InChIKeyOFDMGABOTUETMQ-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.10
Rot. Bonds8

About N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4727668) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4727668
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine
SMILESCCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,20,21,22,23,24)
InChIKeyOFDMGABOTUETMQ-UHFFFAOYSA-N
XLogP4.10
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine 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-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine (CID 4727668) is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine is CCOc1cc(CNc2nn[nH]n2)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is OFDMGABOTUETMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-2-25-15-8-12(9-20-17-21-23-24-22-17)7-14(19)16(15)26-10-11-3-5-13(18)6-4-11/h3-8H,2,9-10H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine?
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 394.26 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).