(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide

C18H18FNO3 — CID 134536725

IUPAC(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide
SMILESC[C@H](C(=O)NC1COc2ccc(F)cc2C1O)c1ccccc1
InChIInChI=1S/C18H18FNO3/c1-11(12-5-3-2-4-6-12)18(22)20-15-10-23-16-8-7-13(19)9-14(16)17(15)21/h2-9,11,15,17,21H,10H2,1H3,(H,20,22)/t11-,15?,17?/m0/s1
InChIKeyBQSCKAGEIGVVHB-OGJQHXJOSA-N
MW315.34 g/mol
LogP2.54
Rot. Bonds3

About (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide

(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide (PubChem CID 134536725) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide
PubChem CID134536725
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide
SMILESC[C@H](C(=O)NC1COc2ccc(F)cc2C1O)c1ccccc1
InChIInChI=1S/C18H18FNO3/c1-11(12-5-3-2-4-6-12)18(22)20-15-10-23-16-8-7-13(19)9-14(16)17(15)21/h2-9,11,15,17,21H,10H2,1H3,(H,20,22)/t11-,15?,17?/m0/s1
InChIKeyBQSCKAGEIGVVHB-OGJQHXJOSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide?
The IUPAC name of (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide (CID 134536725) is (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide?
The canonical SMILES for (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide is C[C@H](C(=O)NC1COc2ccc(F)cc2C1O)c1ccccc1.
What is the InChIKey of (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide?
The InChIKey is BQSCKAGEIGVVHB-OGJQHXJOSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-11(12-5-3-2-4-6-12)18(22)20-15-10-23-16-8-7-13(19)9-14(16)17(15)21/h2-9,11,15,17,21H,10H2,1H3,(H,20,22)/t11-,15?,17?/m0/s1.
What are the key properties of (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide?
(2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide has a molecular weight of 315.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 134536725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).