2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide

C22H20N2O2 — CID 95380298

IUPAC2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c23-21(25)14-26-16-11-9-15(10-12-16)13-24-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-12,22,24H,13-14H2,(H2,23,25)
InChIKeyKSBFDJMEJZGJSA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.41
Rot. Bonds6

About 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide

2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide (PubChem CID 95380298) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide
PubChem CID95380298
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c23-21(25)14-26-16-11-9-15(10-12-16)13-24-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-12,22,24H,13-14H2,(H2,23,25)
InChIKeyKSBFDJMEJZGJSA-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide (CID 95380298) is 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide?
The InChIKey is KSBFDJMEJZGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c23-21(25)14-26-16-11-9-15(10-12-16)13-24-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-12,22,24H,13-14H2,(H2,23,25).
What are the key properties of 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide?
2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(9H-fluoren-9-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 95380298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).