(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide

C18H21FN2O3 — CID 10854020

IUPAC(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyHAQWBSZODRWECB-KRWDZBQOSA-N
MW332.38 g/mol
LogP1.60
Rot. Bonds8

About (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide

(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide (PubChem CID 10854020) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
PubChem CID10854020
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyHAQWBSZODRWECB-KRWDZBQOSA-N
XLogP1.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.60
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-hydroxy-N-methylpropanamide?
The IUPAC name of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide (CID 10854020) is (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide is CNC(=O)[C@H](CO)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
The InChIKey is HAQWBSZODRWECB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-20-18(23)17(11-22)21-10-13-5-7-16(8-6-13)24-12-14-3-2-4-15(19)9-14/h2-9,17,21-22H,10-12H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide?
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N-methylpropanamide has a molecular weight of 332.38 g/mol, XLogP of 1.60, 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-hydroxy-N-methylpropanamide is sourced from PubChem (CID 10854020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).