(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide

C17H19FN2O3 — CID 23625355

IUPAC(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m0/s1
InChIKeyUTIKAYGNKRMHTP-INIZCTEOSA-N
MW318.35 g/mol
LogP1.34
Rot. Bonds8

About (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide

(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide (PubChem CID 23625355) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide
PubChem CID23625355
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m0/s1
InChIKeyUTIKAYGNKRMHTP-INIZCTEOSA-N
XLogP1.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide (CID 23625355) is (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide is NC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
The InChIKey is UTIKAYGNKRMHTP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide has a molecular weight of 318.35 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide is sourced from PubChem (CID 23625355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).