N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide

C16H16ClNO2 — CID 114295749

IUPACN-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15(13-6-2-1-3-7-13)11-18-16(20)10-12-5-4-8-14(19)9-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKeyRPFXTGSVMSKTHC-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.03
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide

N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 114295749) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID114295749
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15(13-6-2-1-3-7-13)11-18-16(20)10-12-5-4-8-14(19)9-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKeyRPFXTGSVMSKTHC-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-amino-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide
CID 63120581
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
2-(3-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103946380
2-(3-hydroxyphenyl)-N-(2-methylsulfanylpropyl)acetamide
CID 115760554
2-(3-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103946363
2-[[[2-(3-hydroxyphenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474342
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
N-(2,2-diphenylethyl)-2-(4-hydroxyphenyl)acetamide
CID 78806805

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide (CID 114295749) is N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCC(Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is RPFXTGSVMSKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-15(13-6-2-1-3-7-13)11-18-16(20)10-12-5-4-8-14(19)9-12/h1-9,15,19H,10-11H2,(H,18,20).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide?
N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide 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 N-(2-chloro-2-phenylethyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 114295749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).