N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide

C10H12ClNO2 — CID 169452771

IUPACN-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@@H](CO)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyIHPBIPNWENCKAM-JTQLQIEISA-N
MW213.66 g/mol
LogP1.51
Rot. Bonds3

About N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide

N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 169452771) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
PubChem CID169452771
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)N[C@@H](CO)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyIHPBIPNWENCKAM-JTQLQIEISA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-[1-(3-chlorophenyl)-3-oxo-3-phenylpropyl]acetamide
CID 86045214
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
(3S)-3-acetamido-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-phenylpropanamide
CID 9164771
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323
3-acetamido-3-(3-chlorophenyl)-N-pyridin-2-ylpropanamide
CID 110676844
N-[3-amino-1-(3-chlorophenyl)propyl]propanamide
CID 142183594
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 110676816

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide (CID 169452771) is N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide is CC(=O)N[C@@H](CO)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is IHPBIPNWENCKAM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide?
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 169452771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).