2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide

C17H18ClNO2 — CID 107851262

IUPAC2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1cccc(CCNC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-21-15-9-5-6-13(12-15)10-11-19-17(20)16(18)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,19,20)
InChIKeyBQTYODKFVXCYGO-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.33
Rot. Bonds6

About 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide

2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 107851262) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID107851262
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
SMILESCOc1cccc(CCNC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-21-15-9-5-6-13(12-15)10-11-19-17(20)16(18)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,19,20)
InChIKeyBQTYODKFVXCYGO-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide (CID 107851262) is 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide is COc1cccc(CCNC(=O)C(Cl)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is BQTYODKFVXCYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-15-9-5-6-13(12-15)10-11-19-17(20)16(18)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide?
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 303.79 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 107851262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).