2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide

C19H20ClFN2O3 — CID 162379763

IUPAC2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)N(CC1COC1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C19H20ClFN2O3/c20-16-6-13(3-4-17(16)21)7-19(25)23(9-14-11-26-12-14)10-18(24)15-2-1-5-22-8-15/h1-6,8,14,18,24H,7,9-12H2/t18-/m1/s1
InChIKeyACBUSIMQSNNDDB-GOSISDBHSA-N
MW378.83 g/mol
LogP2.63
Rot. Bonds7

About 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide

2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide (PubChem CID 162379763) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
PubChem CID162379763
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)c(Cl)c1)N(CC1COC1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C19H20ClFN2O3/c20-16-6-13(3-4-17(16)21)7-19(25)23(9-14-11-26-12-14)10-18(24)15-2-1-5-22-8-15/h1-6,8,14,18,24H,7,9-12H2/t18-/m1/s1
InChIKeyACBUSIMQSNNDDB-GOSISDBHSA-N
XLogP2.63
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide (CID 162379763) is 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide is O=C(Cc1ccc(F)c(Cl)c1)N(CC1COC1)C[C@@H](O)c1cccnc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
The InChIKey is ACBUSIMQSNNDDB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c20-16-6-13(3-4-17(16)21)7-19(25)23(9-14-11-26-12-14)10-18(24)15-2-1-5-22-8-15/h1-6,8,14,18,24H,7,9-12H2/t18-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide has a molecular weight of 378.83 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide is sourced from PubChem (CID 162379763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).