2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide

C17H18ClNO3 — CID 124560470

IUPAC2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
SMILESO=C(CCl)NC[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO3/c18-10-17(21)19-11-16(20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,16,20H,10-12H2,(H,19,21)/t16-/m0/s1
InChIKeyWHQWDDQHTCHIOX-INIZCTEOSA-N
MW319.79 g/mol
LogP2.65
Rot. Bonds7

About 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide

2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide (PubChem CID 124560470) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
PubChem CID124560470
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
SMILESO=C(CCl)NC[C@H](O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO3/c18-10-17(21)19-11-16(20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,16,20H,10-12H2,(H,19,21)/t16-/m0/s1
InChIKeyWHQWDDQHTCHIOX-INIZCTEOSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide
CID 139759618
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
4-hydroxy-2-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 46843455
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
CID 145365424
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
benzyl [3-[(2-chloroacetyl)amino]-2-hydroxypropyl] carbonate
CID 139815139
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 2111801
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide (CID 124560470) is 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide is O=C(CCl)NC[C@H](O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide?
The InChIKey is WHQWDDQHTCHIOX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-10-17(21)19-11-16(20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,16,20H,10-12H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide?
2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 124560470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).