2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide

C23H31FN6O2 — CID 53347992

IUPAC2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1
InChIInChI=1S/C23H31FN6O2/c1-16(23(32)25-19-10-5-6-11-19)30(20-12-3-2-4-13-20)21(31)15-29-27-22(26-28-29)17-8-7-9-18(24)14-17/h7-9,14,16,19-20H,2-6,10-13,15H2,1H3,(H,25,32)
InChIKeyGJAXPTMOYHGQED-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.09
Rot. Bonds7

About 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide

2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (PubChem CID 53347992) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
PubChem CID53347992
Molecular FormulaC23H31FN6O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1
InChIInChI=1S/C23H31FN6O2/c1-16(23(32)25-19-10-5-6-11-19)30(20-12-3-2-4-13-20)21(31)15-29-27-22(26-28-29)17-8-7-9-18(24)14-17/h7-9,14,16,19-20H,2-6,10-13,15H2,1H3,(H,25,32)
InChIKeyGJAXPTMOYHGQED-UHFFFAOYSA-N
XLogP3.09
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide (CID 53347992) is 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
The InChIKey is GJAXPTMOYHGQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-16(23(32)25-19-10-5-6-11-19)30(20-12-3-2-4-13-20)21(31)15-29-27-22(26-28-29)17-8-7-9-18(24)14-17/h7-9,14,16,19-20H,2-6,10-13,15H2,1H3,(H,25,32).
What are the key properties of 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide?
2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide has a molecular weight of 442.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 53347992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).