N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C21H23FN6O3 — CID 3179770

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(F)c3)n2)o1
InChIInChI=1S/C21H23FN6O3/c1-14-9-10-18(31-14)21-24-26-28(25-21)13-20(30)27(17-8-4-5-15(22)11-17)12-19(29)23-16-6-2-3-7-16/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3,(H,23,29)
InChIKeyDTXCHAKUMWJUAJ-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3179770) has the molecular formula C21H23FN6O3 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3179770
Molecular FormulaC21H23FN6O3
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(F)c3)n2)o1
InChIInChI=1S/C21H23FN6O3/c1-14-9-10-18(31-14)21-24-26-28(25-21)13-20(30)27(17-8-4-5-15(22)11-17)12-19(29)23-16-6-2-3-7-16/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3,(H,23,29)
InChIKeyDTXCHAKUMWJUAJ-UHFFFAOYSA-N
XLogP2.47
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3179770) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(F)c3)n2)o1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is DTXCHAKUMWJUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-14-9-10-18(31-14)21-24-26-28(25-21)13-20(30)27(17-8-4-5-15(22)11-17)12-19(29)23-16-6-2-3-7-16/h4-5,8-11,16H,2-3,6-7,12-13H2,1H3,(H,23,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 426.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).