N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide

C23H24F2N6O2 — CID 3179858

IUPACN-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F
InChIInChI=1S/C23H24F2N6O2/c1-15(23(33)26-18-6-2-3-7-18)31(20-9-5-4-8-19(20)25)21(32)14-30-28-22(27-29-30)16-10-12-17(24)13-11-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,26,33)
InChIKeyYQOKZFJYIQVYFU-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.10
Rot. Bonds7

About N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide

N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide (PubChem CID 3179858) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
PubChem CID3179858
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC NameN-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
SMILESCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F
InChIInChI=1S/C23H24F2N6O2/c1-15(23(33)26-18-6-2-3-7-18)31(20-9-5-4-8-19(20)25)21(32)14-30-28-22(27-29-30)16-10-12-17(24)13-11-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,26,33)
InChIKeyYQOKZFJYIQVYFU-UHFFFAOYSA-N
XLogP3.10
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclohexyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 5018540
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
The IUPAC name of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide (CID 3179858) is N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide is CC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F.
What is the InChIKey of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
The InChIKey is YQOKZFJYIQVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-15(23(33)26-18-6-2-3-7-18)31(20-9-5-4-8-19(20)25)21(32)14-30-28-22(27-29-30)16-10-12-17(24)13-11-16/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,26,33).
What are the key properties of N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide?
N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide has a molecular weight of 454.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide is sourced from PubChem (CID 3179858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).