N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C21H27FN6O2 — CID 646964

IUPACN-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1)NC1CCCC1
InChIInChI=1S/C21H27FN6O2/c22-16-11-9-15(10-12-16)21-24-26-28(25-21)14-20(30)27(18-7-3-4-8-18)13-19(29)23-17-5-1-2-6-17/h9-12,17-18H,1-8,13-14H2,(H,23,29)
InChIKeyKJRZBNKCWMQGJU-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.31
Rot. Bonds7

About N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 646964) has the molecular formula C21H27FN6O2 and a molecular weight of 414.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID646964
Molecular FormulaC21H27FN6O2
Molecular Weight414.49 g/mol
Exact Mass414.22
IUPAC NameN-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1)NC1CCCC1
InChIInChI=1S/C21H27FN6O2/c22-16-11-9-15(10-12-16)21-24-26-28(25-21)14-20(30)27(18-7-3-4-8-18)13-19(29)23-17-5-1-2-6-17/h9-12,17-18H,1-8,13-14H2,(H,23,29)
InChIKeyKJRZBNKCWMQGJU-UHFFFAOYSA-N
XLogP2.31
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclopentyl-2-{cyclopentyl-[2-(5-p-tolyl-tetrazol-2-yl)-acetyl]-amino}-butyramide
CID 3179889
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 591008
2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 5018540
2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide
CID 53347939
2-[cyclohexyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347956
2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347971
2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347992
2-[cyclohexyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]-N-cyclopentylpropanamide
CID 53347998
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 590954
N-Cyclopentyl-3-(5-p-tolyl-tetrazol-2-yl)-propionamide
CID 645245
2-[5-(4-Fluoro-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 648709
N-Cyclohexylcarbamoylmethyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 648891

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 646964) is N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is KJRZBNKCWMQGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O2/c22-16-11-9-15(10-12-16)21-24-26-28(25-21)14-20(30)27(18-7-3-4-8-18)13-19(29)23-17-5-1-2-6-17/h9-12,17-18H,1-8,13-14H2,(H,23,29).
What are the key properties of N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 646964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).