(3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one

C23H21NO — CID 15307551

IUPAC(3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one
SMILESCC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO/c1-16(17(2)25)24-23(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-16,24H,1-2H3/t16-/m0/s1
InChIKeyFICDIQIQUHQEGA-INIZCTEOSA-N
MW327.43 g/mol
LogP4.53
Rot. Bonds4

About (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one

(3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one (PubChem CID 15307551) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one.

Molecular Properties

Compound Name(3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one
PubChem CID15307551
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one
SMILESCC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21NO/c1-16(17(2)25)24-23(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-16,24H,1-2H3/t16-/m0/s1
InChIKeyFICDIQIQUHQEGA-INIZCTEOSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one?
The IUPAC name of (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one (CID 15307551) is (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one.
What is the SMILES notation for (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one?
The canonical SMILES for (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one is CC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one?
The InChIKey is FICDIQIQUHQEGA-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21NO/c1-16(17(2)25)24-23(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-16,24H,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one?
(3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one has a molecular weight of 327.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(9-phenylfluoren-9-yl)amino]butan-2-one is sourced from PubChem (CID 15307551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).