N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C17H15ClFN5O2 — CID 46795479

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H15ClFN5O2/c1-23(9-14-15(18)3-2-4-16(14)19)17(25)10-26-13-7-5-12(6-8-13)24-11-20-21-22-24/h2-8,11H,9-10H2,1H3
InChIKeyCUOSDBGMQLDUEM-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.49
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 46795479) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID46795479
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H15ClFN5O2/c1-23(9-14-15(18)3-2-4-16(14)19)17(25)10-26-13-7-5-12(6-8-13)24-11-20-21-22-24/h2-8,11H,9-10H2,1H3
InChIKeyCUOSDBGMQLDUEM-UHFFFAOYSA-N
XLogP2.49
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46612021
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 55313861
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31182109
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 9171384
1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 18079355
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 55315127
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
2-(2-benzylphenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 7936316

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 46795479) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide is CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is CUOSDBGMQLDUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-23(9-14-15(18)3-2-4-16(14)19)17(25)10-26-13-7-5-12(6-8-13)24-11-20-21-22-24/h2-8,11H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 375.79 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 46795479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).