2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide

C16H16ClNO2 — CID 61239080

IUPAC2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
SMILESO=C(NCCc1ccc(O)cc1)C(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15(13-4-2-1-3-5-13)16(20)18-11-10-12-6-8-14(19)9-7-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKeyDJKZIFHVZIFONA-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.03
Rot. Bonds5

About 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide

2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 61239080) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
PubChem CID61239080
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
SMILESO=C(NCCc1ccc(O)cc1)C(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15(13-4-2-1-3-5-13)16(20)18-11-10-12-6-8-14(19)9-7-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKeyDJKZIFHVZIFONA-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186
N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
CID 121240272
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
2-[(2-chloro-2-phenylacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70006715
2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide (CID 61239080) is 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide is O=C(NCCc1ccc(O)cc1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is DJKZIFHVZIFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-15(13-4-2-1-3-5-13)16(20)18-11-10-12-6-8-14(19)9-7-12/h1-9,15,19H,10-11H2,(H,18,20).
What are the key properties of 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide?
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 289.76 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 61239080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).