2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide

C23H31ClN6O2 — CID 53347939

IUPAC2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCCC1
InChIInChI=1S/C23H31ClN6O2/c1-16(23(32)25-19-7-5-6-8-19)30(20-9-3-2-4-10-20)21(31)15-29-27-22(26-28-29)17-11-13-18(24)14-12-17/h11-14,16,19-20H,2-10,15H2,1H3,(H,25,32)
InChIKeyRFZCBAYPKBNBIT-UHFFFAOYSA-N
MW458.99 g/mol
LogP3.60
Rot. Bonds7

About 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide

2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide (PubChem CID 53347939) has the molecular formula C23H31ClN6O2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide
PubChem CID53347939
Molecular FormulaC23H31ClN6O2
Molecular Weight458.99 g/mol
Exact Mass458.22
IUPAC Name2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCCC1
InChIInChI=1S/C23H31ClN6O2/c1-16(23(32)25-19-7-5-6-8-19)30(20-9-3-2-4-10-20)21(31)15-29-27-22(26-28-29)17-11-13-18(24)14-12-17/h11-14,16,19-20H,2-10,15H2,1H3,(H,25,32)
InChIKeyRFZCBAYPKBNBIT-UHFFFAOYSA-N
XLogP3.60
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide (CID 53347939) is 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCCCC1.
What is the InChIKey of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide?
The InChIKey is RFZCBAYPKBNBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN6O2/c1-16(23(32)25-19-7-5-6-8-19)30(20-9-3-2-4-10-20)21(31)15-29-27-22(26-28-29)17-11-13-18(24)14-12-17/h11-14,16,19-20H,2-10,15H2,1H3,(H,25,32).
What are the key properties of 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide?
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide has a molecular weight of 458.99 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 53347939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).