N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

C23H27FN6O3 — CID 3179950

IUPACN-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H27FN6O3/c1-3-19(23(32)25-17-6-4-5-7-17)30(18-11-9-16(24)10-12-18)21(31)14-29-27-22(26-28-29)20-13-8-15(2)33-20/h8-13,17,19H,3-7,14H2,1-2H3,(H,25,32)
InChIKeyVBYOMDWBQVKSQD-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.25
Rot. Bonds8

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

N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (PubChem CID 3179950) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
PubChem CID3179950
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC NameN-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H27FN6O3/c1-3-19(23(32)25-17-6-4-5-7-17)30(18-11-9-16(24)10-12-18)21(31)14-29-27-22(26-28-29)20-13-8-15(2)33-20/h8-13,17,19H,3-7,14H2,1-2H3,(H,25,32)
InChIKeyVBYOMDWBQVKSQD-UHFFFAOYSA-N
XLogP3.25
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The IUPAC name of N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (CID 3179950) is N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The InChIKey is VBYOMDWBQVKSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-3-19(23(32)25-17-6-4-5-7-17)30(18-11-9-16(24)10-12-18)21(31)14-29-27-22(26-28-29)20-13-8-15(2)33-20/h8-13,17,19H,3-7,14H2,1-2H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide has a molecular weight of 454.51 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluoro-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 3179950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).