2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C18H18ClN5O2 — CID 7634948

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H18ClN5O2/c1-26-14-8-6-13(7-9-14)10-11-20-17(25)12-24-22-18(21-23-24)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyJKNROJNIUHZPTJ-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.36
Rot. Bonds7

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 7634948) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID7634948
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H18ClN5O2/c1-26-14-8-6-13(7-9-14)10-11-20-17(25)12-24-22-18(21-23-24)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyJKNROJNIUHZPTJ-UHFFFAOYSA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2127162
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7634933
1-[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]-1-(4-methoxyphenyl)thiourea
CID 22302744
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 7634948) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JKNROJNIUHZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-26-14-8-6-13(7-9-14)10-11-20-17(25)12-24-22-18(21-23-24)15-4-2-3-5-16(15)19/h2-9H,10-12H2,1H3,(H,20,25).
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 371.83 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 7634948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).