[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

C18H15ClN4O3 — CID 8825511

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN4O3/c1-12-2-4-14(5-3-12)18-20-22-23(21-18)10-17(25)26-11-16(24)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3
InChIKeyNMTYVJLLQRNFFJ-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.73
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (PubChem CID 8825511) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
PubChem CID8825511
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCC(=O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN4O3/c1-12-2-4-14(5-3-12)18-20-22-23(21-18)10-17(25)26-11-16(24)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3
InChIKeyNMTYVJLLQRNFFJ-UHFFFAOYSA-N
XLogP2.73
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[5-(4-methylphenyl)tetrazol-2-yl]propanoate
CID 1150139
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825589
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807415
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825635
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2421833
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825534
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 55426867
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 7712989

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (CID 8825511) is [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is Cc1ccc(-c2nnn(CC(=O)OCC(=O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The InChIKey is NMTYVJLLQRNFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-12-2-4-14(5-3-12)18-20-22-23(21-18)10-17(25)26-11-16(24)13-6-8-15(19)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate has a molecular weight of 370.80 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 8825511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).