N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C22H22F2N6O2 — CID 3179767

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C22H22F2N6O2/c23-16-10-8-15(9-11-16)22-26-28-30(27-22)14-21(32)29(19-7-3-4-17(24)12-19)13-20(31)25-18-5-1-2-6-18/h3-4,7-12,18H,1-2,5-6,13-14H2,(H,25,31)
InChIKeySDRCCMYFWZFYTM-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 3179767) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID3179767
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C22H22F2N6O2/c23-16-10-8-15(9-11-16)22-26-28-30(27-22)14-21(32)29(19-7-3-4-17(24)12-19)13-20(31)25-18-5-1-2-6-18/h3-4,7-12,18H,1-2,5-6,13-14H2,(H,25,31)
InChIKeySDRCCMYFWZFYTM-UHFFFAOYSA-N
XLogP2.71
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 3179767) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(F)c1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is SDRCCMYFWZFYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c23-16-10-8-15(9-11-16)22-26-28-30(27-22)14-21(32)29(19-7-3-4-17(24)12-19)13-20(31)25-18-5-1-2-6-18/h3-4,7-12,18H,1-2,5-6,13-14H2,(H,25,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 440.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).