2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide

C21H18FN5O2 — CID 16799291

IUPAC2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2/c1-2-29-18-12-7-14-5-3-4-6-17(14)20(18)21(28)23-13-19-24-25-26-27(19)16-10-8-15(22)9-11-16/h3-12H,2,13H2,1H3,(H,23,28)
InChIKeyXXUCYUXQMJLZHS-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.28
Rot. Bonds6

About 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide

2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide (PubChem CID 16799291) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
PubChem CID16799291
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2/c1-2-29-18-12-7-14-5-3-4-6-17(14)20(18)21(28)23-13-19-24-25-26-27(19)16-10-8-15(22)9-11-16/h3-12H,2,13H2,1H3,(H,23,28)
InChIKeyXXUCYUXQMJLZHS-UHFFFAOYSA-N
XLogP3.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 7216964
CID 7216964
CID 16030190
CID 16030190
CID 16799191
CID 16799191
CID 18565752
CID 18565752
CID 18565558
CID 18565558
CID 41567987
CID 41567987
CID 509346
CID 509346
CID 16799160
CID 16799160
CID 18565652
CID 18565652
CID 18565970
CID 18565970
CID 18565717
CID 18565717
CID 18565719
CID 18565719

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide (CID 16799291) is 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is XXUCYUXQMJLZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-2-29-18-12-7-14-5-3-4-6-17(14)20(18)21(28)23-13-19-24-25-26-27(19)16-10-8-15(22)9-11-16/h3-12H,2,13H2,1H3,(H,23,28).
What are the key properties of 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide?
2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 16799291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).