[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

C20H15N5O3 — CID 2535914

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H15N5O3/c26-19(22-17-8-5-14-3-1-2-4-16(14)11-17)12-28-20(27)15-6-9-18(10-7-15)25-13-21-23-24-25/h1-11,13H,12H2,(H,22,26)
InChIKeyPWAKFKNEZJJBTN-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.61
Rot. Bonds5

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (PubChem CID 2535914) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
PubChem CID2535914
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H15N5O3/c26-19(22-17-8-5-14-3-1-2-4-16(14)11-17)12-28-20(27)15-6-9-18(10-7-15)25-13-21-23-24-25/h1-11,13H,12H2,(H,22,26)
InChIKeyPWAKFKNEZJJBTN-UHFFFAOYSA-N
XLogP2.61
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-(1H-tetrazol-1-yl)phenyl)-3-methyl-1-oxoisochroman-3-carboxamide
CID 16288555
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CID 2355810
Propan-2-yl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 9503432
[2-(5-Chloro-2-fluoroanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 9509566
[1-(3-Acetylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 16615029
[1-(2-Fluoroanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 25162093
[2-Oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 4-(tetrazol-1-yl)benzoate
CID 4831935
[1-(4-Fluoroanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 18081043
[1-(Benzylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 16276855
[1-(Benzylamino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 17480654
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 24671758
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 24978796

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CID 2535914) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is O=C(COC(=O)c1ccc(-n2cnnn2)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The InChIKey is PWAKFKNEZJJBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-19(22-17-8-5-14-3-1-2-4-16(14)11-17)12-28-20(27)15-6-9-18(10-7-15)25-13-21-23-24-25/h1-11,13H,12H2,(H,22,26).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate has a molecular weight of 373.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 2535914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).