7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C14H16FN5O3 — CID 136570664

IUPAC7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCn1nnnc1NC(=O)C1COc2cc(F)ccc2C1
InChIInChI=1S/C14H16FN5O3/c1-22-5-4-20-14(17-18-19-20)16-13(21)10-6-9-2-3-11(15)7-12(9)23-8-10/h2-3,7,10H,4-6,8H2,1H3,(H,16,17,19,21)
InChIKeyCFZUKJDAQPCSJM-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.65
Rot. Bonds5

About 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide

7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 136570664) has the molecular formula C14H16FN5O3 and a molecular weight of 321.31 g/mol. Its IUPAC name is 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID136570664
Molecular FormulaC14H16FN5O3
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCn1nnnc1NC(=O)C1COc2cc(F)ccc2C1
InChIInChI=1S/C14H16FN5O3/c1-22-5-4-20-14(17-18-19-20)16-13(21)10-6-9-2-3-11(15)7-12(9)23-8-10/h2-3,7,10H,4-6,8H2,1H3,(H,16,17,19,21)
InChIKeyCFZUKJDAQPCSJM-UHFFFAOYSA-N
XLogP0.65
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 136570664) is 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide is COCCn1nnnc1NC(=O)C1COc2cc(F)ccc2C1.
What is the InChIKey of 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CFZUKJDAQPCSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O3/c1-22-5-4-20-14(17-18-19-20)16-13(21)10-6-9-2-3-11(15)7-12(9)23-8-10/h2-3,7,10H,4-6,8H2,1H3,(H,16,17,19,21).
What are the key properties of 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 321.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(2-methoxyethyl)tetrazol-5-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 136570664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).