(3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide

C19H21FN2O4 — CID 11854788

IUPAC(3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide
SMILESCC(=O)N[C@H](CO)CC(=O)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O4/c1-13(24)21-17(11-23)10-19(25)22-16-5-7-18(8-6-16)26-12-14-3-2-4-15(20)9-14/h2-9,17,23H,10-12H2,1H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyCDPUTHQPENOQEX-KRWDZBQOSA-N
MW360.39 g/mol
LogP2.23
Rot. Bonds8

About (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide

(3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide (PubChem CID 11854788) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide
PubChem CID11854788
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name(3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide
SMILESCC(=O)N[C@H](CO)CC(=O)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O4/c1-13(24)21-17(11-23)10-19(25)22-16-5-7-18(8-6-16)26-12-14-3-2-4-15(20)9-14/h2-9,17,23H,10-12H2,1H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyCDPUTHQPENOQEX-KRWDZBQOSA-N
XLogP2.23
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide?
The IUPAC name of (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide (CID 11854788) is (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide.
What is the SMILES notation for (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide?
The canonical SMILES for (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide is CC(=O)N[C@H](CO)CC(=O)Nc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide?
The InChIKey is CDPUTHQPENOQEX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(24)21-17(11-23)10-19(25)22-16-5-7-18(8-6-16)26-12-14-3-2-4-15(20)9-14/h2-9,17,23H,10-12H2,1H3,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide?
(3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide has a molecular weight of 360.39 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[4-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxybutanamide is sourced from PubChem (CID 11854788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).