N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide

C19H15N5O3 — CID 1091686

IUPACN-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide
SMILESCCn1nnc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)n1
InChIInChI=1S/C19H15N5O3/c1-2-24-22-19(21-23-24)20-17(25)14-8-5-7-12(10-14)15-11-13-6-3-4-9-16(13)27-18(15)26/h3-11H,2H2,1H3,(H,20,22,25)
InChIKeyCXYVFMZGRKGLRW-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.72
Rot. Bonds4

About N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide

N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 1091686) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID1091686
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide
SMILESCCn1nnc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)n1
InChIInChI=1S/C19H15N5O3/c1-2-24-22-19(21-23-24)20-17(25)14-8-5-7-12(10-14)15-11-13-6-3-4-9-16(13)27-18(15)26/h3-11H,2H2,1H3,(H,20,22,25)
InChIKeyCXYVFMZGRKGLRW-UHFFFAOYSA-N
XLogP2.72
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyltetrazol-5-yl)-9H-xanthene-9-carboxamide
CID 9923127
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
Methyl 4-(8-oxa-12,13,14,15,17-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-yl)benzoate
CID 2999145
3-(benzyloxy)-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893746
3-(benzyloxy)-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 935931
3-(2-methylpropoxy)-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 1286190
2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 934910
N-(2-ethyl-2H-tetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 156583886
2-methoxy-3-methyl-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893957
N-(2-ethyl-2H-tetrazol-5-yl)-2-methoxy-3-methylbenzamide
CID 953028
N-(2-ethyltetrazol-5-yl)-3-methoxynaphthalene-2-carboxamide
CID 969018

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide (CID 1091686) is N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide is CCn1nnc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is CXYVFMZGRKGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-2-24-22-19(21-23-24)20-17(25)14-8-5-7-12(10-14)15-11-13-6-3-4-9-16(13)27-18(15)26/h3-11H,2H2,1H3,(H,20,22,25).
What are the key properties of N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide?
N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 1091686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).