N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide

C12H11F4N5O2 — CID 156583886

IUPACN-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCCn1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)n1
InChIInChI=1S/C12H11F4N5O2/c1-2-21-19-11(18-20-21)17-9(22)7-5-3-4-6-8(7)23-12(15,16)10(13)14/h3-6,10H,2H2,1H3,(H,17,19,22)
InChIKeyJILGDSNLGALPJO-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.18
Rot. Bonds6

About N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide

N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 156583886) has the molecular formula C12H11F4N5O2 and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID156583886
Molecular FormulaC12H11F4N5O2
Molecular Weight333.25 g/mol
Exact Mass333.08
IUPAC NameN-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCCn1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)n1
InChIInChI=1S/C12H11F4N5O2/c1-2-21-19-11(18-20-21)17-9(22)7-5-3-4-6-8(7)23-12(15,16)10(13)14/h3-6,10H,2H2,1H3,(H,17,19,22)
InChIKeyJILGDSNLGALPJO-UHFFFAOYSA-N
XLogP2.18
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bas 07005712
CID 656143
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
N-(2-ethyl-2H-tetrazol-5-yl)-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 1091686
5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
CID 824050

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 156583886) is N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide is CCn1nnc(NC(=O)c2ccccc2OC(F)(F)C(F)F)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is JILGDSNLGALPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N5O2/c1-2-21-19-11(18-20-21)17-9(22)7-5-3-4-6-8(7)23-12(15,16)10(13)14/h3-6,10H,2H2,1H3,(H,17,19,22).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 333.25 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 156583886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).