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

C22H22F2N6O2 — CID 3179772

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C22H22F2N6O2/c23-16-7-5-15(6-8-16)22-26-28-30(27-22)14-21(32)29(19-11-9-17(24)10-12-19)13-20(31)25-18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,25,31)
InChIKeyFRPVVJXXBKNJLY-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.71
Rot. Bonds7

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

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 3179772) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID3179772
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C22H22F2N6O2/c23-16-7-5-15(6-8-16)22-26-28-30(27-22)14-21(32)29(19-11-9-17(24)10-12-19)13-20(31)25-18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,25,31)
InChIKeyFRPVVJXXBKNJLY-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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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872776
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-Fluoro-N-{3-[2-(isopropylcarbamoyl-methyl)-2H-tetrazol-5-yl]-phenyl}-benzamide
CID 646056
N-Cyclopentyl-N-cyclopentylcarbamoylmethyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 646964
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
2-(Cyclopentyl-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-(3-methyl-butyl)-propionamide
CID 650552
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
N-Cyclopentyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-acetamide
CID 654864
2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1143706

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 3179772) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is FRPVVJXXBKNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c23-16-7-5-15(6-8-16)22-26-28-30(27-22)14-21(32)29(19-11-9-17(24)10-12-19)13-20(31)25-18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,25,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-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-(4-fluorophenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).