N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine

C19H19Cl2N5O2 — CID 4726583

IUPACN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C19H19Cl2N5O2/c1-3-8-26-19(23-24-25-26)22-11-14-9-16(21)18(17(10-14)27-2)28-12-13-4-6-15(20)7-5-13/h3-7,9-10H,1,8,11-12H2,2H3,(H,22,23,25)
InChIKeyNCMVGMAUFSRBCD-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.37
Rot. Bonds9

About N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine

N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine (PubChem CID 4726583) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
PubChem CID4726583
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC NameN-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C19H19Cl2N5O2/c1-3-8-26-19(23-24-25-26)22-11-14-9-16(21)18(17(10-14)27-2)28-12-13-4-6-15(20)7-5-13/h3-7,9-10H,1,8,11-12H2,2H3,(H,22,23,25)
InChIKeyNCMVGMAUFSRBCD-UHFFFAOYSA-N
XLogP4.37
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-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

Related Compounds

N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727623
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542535
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726531
2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 4726459
N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
2-[2-chloro-6-ethoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539378
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[[2-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66540004
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4726595

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine (CID 4726583) is N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
The InChIKey is NCMVGMAUFSRBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-3-8-26-19(23-24-25-26)22-11-14-9-16(21)18(17(10-14)27-2)28-12-13-4-6-15(20)7-5-13/h3-7,9-10H,1,8,11-12H2,2H3,(H,22,23,25).
What are the key properties of N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine?
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine has a molecular weight of 420.30 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 4726583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).