2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide

C25H28ClFN6O2 — CID 3180024

IUPAC2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C25H28ClFN6O2/c1-2-5-22(25(35)28-20-6-3-4-7-20)33(21-14-10-18(26)11-15-21)23(34)16-32-30-24(29-31-32)17-8-12-19(27)13-9-17/h8-15,20,22H,2-7,16H2,1H3,(H,28,35)
InChIKeyMYCXMKHBBCZEKZ-UHFFFAOYSA-N
MW498.99 g/mol
LogP4.39
Rot. Bonds9

About 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide

2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide (PubChem CID 3180024) has the molecular formula C25H28ClFN6O2 and a molecular weight of 498.99 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide.

Molecular Properties

Compound Name2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide
PubChem CID3180024
Molecular FormulaC25H28ClFN6O2
Molecular Weight498.99 g/mol
Exact Mass498.19
IUPAC Name2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C25H28ClFN6O2/c1-2-5-22(25(35)28-20-6-3-4-7-20)33(21-14-10-18(26)11-15-21)23(34)16-32-30-24(29-31-32)17-8-12-19(27)13-9-17/h8-15,20,22H,2-7,16H2,1H3,(H,28,35)
InChIKeyMYCXMKHBBCZEKZ-UHFFFAOYSA-N
XLogP4.39
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
2-(3-chloro-4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpropanamide
CID 3179866
(2R)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 40620489
(2S)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 25448706
(2R)-N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
CID 25446400
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-4-fluoroanilino)-N-cyclohexyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 3180684
(2R)-2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 1144117
2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 3190272
N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3180504
(2R)-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 98090886
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(4-methoxyphenyl)acetamide
CID 98090912
N-cyclopentyl-2-(3-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 3180019

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide?
The IUPAC name of 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide (CID 3180024) is 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide.
What is the SMILES notation for 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide?
The canonical SMILES for 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide is CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide?
The InChIKey is MYCXMKHBBCZEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN6O2/c1-2-5-22(25(35)28-20-6-3-4-7-20)33(21-14-10-18(26)11-15-21)23(34)16-32-30-24(29-31-32)17-8-12-19(27)13-9-17/h8-15,20,22H,2-7,16H2,1H3,(H,28,35).
What are the key properties of 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide?
2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide has a molecular weight of 498.99 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-N-cyclopentylpentanamide is sourced from PubChem (CID 3180024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).