N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide

C16H16ClN5O2 — CID 90125220

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1cccc(N2CN=NN2)c1
InChIInChI=1S/C16H16ClN5O2/c1-11-14(17)6-3-7-15(11)19-16(23)9-24-13-5-2-4-12(8-13)22-10-18-20-21-22/h2-8H,9-10H2,1H3,(H,18,21)(H,19,23)
InChIKeyRPFPQMFYGZMELP-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.32
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide

N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide (PubChem CID 90125220) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide
PubChem CID90125220
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide
SMILESCc1c(Cl)cccc1NC(=O)COc1cccc(N2CN=NN2)c1
InChIInChI=1S/C16H16ClN5O2/c1-11-14(17)6-3-7-15(11)19-16(23)9-24-13-5-2-4-12(8-13)22-10-18-20-21-22/h2-8H,9-10H2,1H3,(H,18,21)(H,19,23)
InChIKeyRPFPQMFYGZMELP-UHFFFAOYSA-N
XLogP3.32
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-(3-chloro-2-methylphenyl)-2-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]acetamide
CID 175667134
N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22781306
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide (CID 90125220) is N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide is Cc1c(Cl)cccc1NC(=O)COc1cccc(N2CN=NN2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide?
The InChIKey is RPFPQMFYGZMELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-11-14(17)6-3-7-15(11)19-16(23)9-24-13-5-2-4-12(8-13)22-10-18-20-21-22/h2-8H,9-10H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide?
N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide has a molecular weight of 345.79 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(2,5-dihydrotetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 90125220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).