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

C24H27FN6O3 — CID 3179874

IUPACN-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27FN6O3/c1-16(24(33)26-19-5-3-4-6-19)31(20-11-13-21(34-2)14-12-20)22(32)15-30-28-23(27-29-30)17-7-9-18(25)10-8-17/h7-14,16,19H,3-6,15H2,1-2H3,(H,26,33)
InChIKeyMWJKMWOHYOUUAJ-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.97
Rot. Bonds8

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

N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide (PubChem CID 3179874) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
PubChem CID3179874
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC NameN-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27FN6O3/c1-16(24(33)26-19-5-3-4-6-19)31(20-11-13-21(34-2)14-12-20)22(32)15-30-28-23(27-29-30)17-7-9-18(25)10-8-17/h7-14,16,19H,3-6,15H2,1-2H3,(H,26,33)
InChIKeyMWJKMWOHYOUUAJ-UHFFFAOYSA-N
XLogP2.97
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
The IUPAC name of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide (CID 3179874) is N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
The InChIKey is MWJKMWOHYOUUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-16(24(33)26-19-5-3-4-6-19)31(20-11-13-21(34-2)14-12-20)22(32)15-30-28-23(27-29-30)17-7-9-18(25)10-8-17/h7-14,16,19H,3-6,15H2,1-2H3,(H,26,33).
What are the key properties of N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide?
N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide has a molecular weight of 466.52 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 3179874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).