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

C19H20Cl2N2O3 — CID 162379709

IUPAC2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CC1COC1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C19H20Cl2N2O3/c20-16-4-3-13(6-17(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
InChIKeyUWZDLBHIMJBSQW-GOSISDBHSA-N
MW395.29 g/mol
LogP3.14
Rot. Bonds7

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

2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide (PubChem CID 162379709) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
PubChem CID162379709
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N(CC1COC1)C[C@@H](O)c1cccnc1
InChIInChI=1S/C19H20Cl2N2O3/c20-16-4-3-13(6-17(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
InChIKeyUWZDLBHIMJBSQW-GOSISDBHSA-N
XLogP3.14
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
CID 169304212
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
CID 168923813
5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
CID 170307810
5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379666
2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102888
tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
CID 151652416
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
ethyl 3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoate
CID 22888563

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide (CID 162379709) is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)N(CC1COC1)C[C@@H](O)c1cccnc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
The InChIKey is UWZDLBHIMJBSQW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c20-16-4-3-13(6-17(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-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide?
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide has a molecular weight of 395.29 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide is sourced from PubChem (CID 162379709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).