2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide

C16H14Cl2N2O3 — CID 71239582

IUPAC2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide
SMILESO=C(N[C@H]1COc2ncccc21)C(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-9-3-4-10(13(18)6-9)12(7-21)15(22)20-14-8-23-16-11(14)2-1-5-19-16/h1-6,12,14,21H,7-8H2,(H,20,22)/t12?,14-/m0/s1
InChIKeyDPNPLMFVTDNEQR-PYMCNQPYSA-N
MW353.21 g/mol
LogP2.71
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide

2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide (PubChem CID 71239582) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide
PubChem CID71239582
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide
SMILESO=C(N[C@H]1COc2ncccc21)C(CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c17-9-3-4-10(13(18)6-9)12(7-21)15(22)20-14-8-23-16-11(14)2-1-5-19-16/h1-6,12,14,21H,7-8H2,(H,20,22)/t12?,14-/m0/s1
InChIKeyDPNPLMFVTDNEQR-PYMCNQPYSA-N
XLogP2.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239312
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239153
6-chloro-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)-1-methylindole-2-carboxamide
CID 177140066
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide
CID 89396973
2-(2-chloro-3-cyanophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
CID 71239499
1-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopropane-1-carboxamide
CID 71495726
2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239541
2-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239529
N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 71698811
N-[3-(2,4-dichlorophenyl)propyl]decan-1-amine;2,3-dihydrofuro[2,3-b]pyridine-3-carboxylic acid
CID 158578751
(3S)-N-[(1R)-8-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 71699647
(3S)-3-(2,4-dichlorophenyl)-3-(pyrimidin-2-ylcarbamothioylamino)propanoic acid
CID 100569069

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide (CID 71239582) is 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide is O=C(N[C@H]1COc2ncccc21)C(CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide?
The InChIKey is DPNPLMFVTDNEQR-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-9-3-4-10(13(18)6-9)12(7-21)15(22)20-14-8-23-16-11(14)2-1-5-19-16/h1-6,12,14,21H,7-8H2,(H,20,22)/t12?,14-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide?
2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide has a molecular weight of 353.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(3R)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-3-hydroxypropanamide is sourced from PubChem (CID 71239582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).