N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide

C13H18FNO2 — CID 166440490

IUPACN-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-10(15-13(16)7-8-17-2)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyHDZUTOXLSTTYTA-SNVBAGLBSA-N
MW239.29 g/mol
LogP1.91
Rot. Bonds6

About N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide

N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide (PubChem CID 166440490) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide
PubChem CID166440490
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-10(15-13(16)7-8-17-2)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyHDZUTOXLSTTYTA-SNVBAGLBSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide?
The IUPAC name of N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide (CID 166440490) is N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide is COCCC(=O)N[C@H](C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide?
The InChIKey is HDZUTOXLSTTYTA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(15-13(16)7-8-17-2)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide?
N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide has a molecular weight of 239.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 166440490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).