2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

C17H15Cl2N5O2 — CID 55676966

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2N5O2/c1-10(26-16-7-6-12(18)8-15(16)19)17(25)20-13-4-3-5-14(9-13)24-11(2)21-22-23-24/h3-10H,1-2H3,(H,20,25)
InChIKeyZMKNJOQCXDQPER-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.68
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 55676966) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID55676966
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H15Cl2N5O2/c1-10(26-16-7-6-12(18)8-15(16)19)17(25)20-13-4-3-5-14(9-13)24-11(2)21-22-23-24/h3-10H,1-2H3,(H,20,25)
InChIKeyZMKNJOQCXDQPER-UHFFFAOYSA-N
XLogP3.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55777773
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
(2R)-2-(2,4-dichlorophenoxy)-N-(3-ethylphenyl)propanamide
CID 874427
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 55676966) is 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is Cc1nnnn1-c1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is ZMKNJOQCXDQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c1-10(26-16-7-6-12(18)8-15(16)19)17(25)20-13-4-3-5-14(9-13)24-11(2)21-22-23-24/h3-10H,1-2H3,(H,20,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 392.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55676966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).