[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

C18H15N5O4 — CID 7399359

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H15N5O4/c1-12(24)13-6-2-4-8-15(13)20-17(25)10-27-18(26)14-7-3-5-9-16(14)23-11-19-21-22-23/h2-9,11H,10H2,1H3,(H,20,25)
InChIKeyABBHICUIRTWGFC-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.66
Rot. Bonds6

About [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate

[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 7399359) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID7399359
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H15N5O4/c1-12(24)13-6-2-4-8-15(13)20-17(25)10-27-18(26)14-7-3-5-9-16(14)23-11-19-21-22-23/h2-9,11H,10H2,1H3,(H,20,25)
InChIKeyABBHICUIRTWGFC-UHFFFAOYSA-N
XLogP1.66
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3-iodoanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 30563396
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399528
ethyl 2-[[2-[3-(tetrazol-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 41195072
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399552
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 7399621
[2-(2-acetylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 2408217
[2-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(tetrazol-1-yl)benzoate
CID 7399399
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 29387354
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-acetylanilino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 2406749

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate (CID 7399359) is [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is ABBHICUIRTWGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-12(24)13-6-2-4-8-15(13)20-17(25)10-27-18(26)14-7-3-5-9-16(14)23-11-19-21-22-23/h2-9,11H,10H2,1H3,(H,20,25).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate?
[2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 365.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 7399359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).