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

C23H25FN6O2 — CID 3179740

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C23H25FN6O2/c1-16-10-12-18(13-11-16)29(14-21(31)25-17-6-2-3-7-17)22(32)15-30-27-23(26-28-30)19-8-4-5-9-20(19)24/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,25,31)
InChIKeyPKIOFWPRBHZSJX-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.88
Rot. Bonds7

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

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 3179740) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID3179740
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C23H25FN6O2/c1-16-10-12-18(13-11-16)29(14-21(31)25-17-6-2-3-7-17)22(32)15-30-27-23(26-28-30)19-8-4-5-9-20(19)24/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,25,31)
InChIKeyPKIOFWPRBHZSJX-UHFFFAOYSA-N
XLogP2.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.88
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
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (CID 3179740) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is PKIOFWPRBHZSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-16-10-12-18(13-11-16)29(14-21(31)25-17-6-2-3-7-17)22(32)15-30-27-23(26-28-30)19-8-4-5-9-20(19)24/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,25,31).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 436.49 g/mol, XLogP of 2.88, 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]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3179740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).