N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide

C19H26F2N2O3 — CID 134347937

IUPACN-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESNCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F
InChIInChI=1S/C19H26F2N2O3/c20-14-8-5-9-15(21)18(14)26-12-17(24)16(10-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12,22H2,(H,23,25)
InChIKeyDOHXJAQSKHNDLH-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.72
Rot. Bonds10

About N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide

N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide (PubChem CID 134347937) has the molecular formula C19H26F2N2O3 and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
PubChem CID134347937
Molecular FormulaC19H26F2N2O3
Molecular Weight368.42 g/mol
Exact Mass368.19
IUPAC NameN-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide
SMILESNCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F
InChIInChI=1S/C19H26F2N2O3/c20-14-8-5-9-15(21)18(14)26-12-17(24)16(10-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12,22H2,(H,23,25)
InChIKeyDOHXJAQSKHNDLH-UHFFFAOYSA-N
XLogP2.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide (CID 134347937) is N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide is NCCCCC(NC(=O)C1CCCC1)C(=O)COc1c(F)cccc1F.
What is the InChIKey of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
The InChIKey is DOHXJAQSKHNDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O3/c20-14-8-5-9-15(21)18(14)26-12-17(24)16(10-3-4-11-22)23-19(25)13-6-1-2-7-13/h5,8-9,13,16H,1-4,6-7,10-12,22H2,(H,23,25).
What are the key properties of N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide?
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134347937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).