N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide

C16H16Cl2N2O2 — CID 96517114

IUPACN-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NC[C@@H](O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c17-11-4-6-13(14(18)9-11)15(21)10-20-16(22)7-5-12-3-1-2-8-19-12/h1-4,6,8-9,15,21H,5,7,10H2,(H,20,22)/t15-/m1/s1
InChIKeyHEJDHGREJRKEKM-OAHLLOKOSA-N
MW339.22 g/mol
LogP3.17
Rot. Bonds6

About N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide

N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide (PubChem CID 96517114) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
PubChem CID96517114
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC NameN-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NC[C@@H](O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c17-11-4-6-13(14(18)9-11)15(21)10-20-16(22)7-5-12-3-1-2-8-19-12/h1-4,6,8-9,15,21H,5,7,10H2,(H,20,22)/t15-/m1/s1
InChIKeyHEJDHGREJRKEKM-OAHLLOKOSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000203
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
CID 111115685
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 111115691
N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]-3-pyridin-2-ylpropanamide
CID 122158661
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 112536155
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
2-(2,4-dichlorophenoxy)-N-(3-pyridin-2-ylpropyl)acetamide
CID 110660985
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide (CID 96517114) is N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)NC[C@@H](O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is HEJDHGREJRKEKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-11-4-6-13(14(18)9-11)15(21)10-20-16(22)7-5-12-3-1-2-8-19-12/h1-4,6,8-9,15,21H,5,7,10H2,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide?
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 339.22 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 96517114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).