N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

C23H27FN6O4 — CID 3180173

IUPACN-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C23H27FN6O4/c1-15-6-11-19(34-15)22-26-28-30(27-22)14-20(32)29(12-13-31)21(16-7-9-17(24)10-8-16)23(33)25-18-4-2-3-5-18/h6-11,18,21,31H,2-5,12-14H2,1H3,(H,25,33)
InChIKeyWHOFNVPVQYJTBO-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.00
Rot. Bonds9

About N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 3180173) has the molecular formula C23H27FN6O4 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
PubChem CID3180173
Molecular FormulaC23H27FN6O4
Molecular Weight470.51 g/mol
Exact Mass470.21
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
InChIInChI=1S/C23H27FN6O4/c1-15-6-11-19(34-15)22-26-28-30(27-22)14-20(32)29(12-13-31)21(16-7-9-17(24)10-8-16)23(33)25-18-4-2-3-5-18/h6-11,18,21,31H,2-5,12-14H2,1H3,(H,25,33)
InChIKeyWHOFNVPVQYJTBO-UHFFFAOYSA-N
XLogP2.00
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (CID 3180173) is N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The InChIKey is WHOFNVPVQYJTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O4/c1-15-6-11-19(34-15)22-26-28-30(27-22)14-20(32)29(12-13-31)21(16-7-9-17(24)10-8-16)23(33)25-18-4-2-3-5-18/h6-11,18,21,31H,2-5,12-14H2,1H3,(H,25,33).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 470.51 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)-2-[2-hydroxyethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 3180173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).