2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

C16H14ClN5O2 — CID 26122962

IUPAC2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN5O2/c1-22-16(19-20-21-22)11-4-2-6-13(8-11)18-15(23)10-24-14-7-3-5-12(17)9-14/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBJOJCBQVYMVWCU-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.55
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 26122962) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID26122962
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnnc1-c1cccc(NC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C16H14ClN5O2/c1-22-16(19-20-21-22)11-4-2-6-13(8-11)18-15(23)10-24-14-7-3-5-12(17)9-14/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBJOJCBQVYMVWCU-UHFFFAOYSA-N
XLogP2.55
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 134002158
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26123101
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (CID 26122962) is 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnnc1-c1cccc(NC(=O)COc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is BJOJCBQVYMVWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-22-16(19-20-21-22)11-4-2-6-13(8-11)18-15(23)10-24-14-7-3-5-12(17)9-14/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 26122962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).