N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide

C17H18ClNO2 — CID 114300105

IUPACN-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CCl)c2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-15-9-7-13(8-10-15)11-17(20)19-16(12-18)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,20)
InChIKeyGWYPKLDZCRMZSW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.33
Rot. Bonds6

About N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide

N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 114300105) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID114300105
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CCl)c2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-15-9-7-13(8-10-15)11-17(20)19-16(12-18)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,20)
InChIKeyGWYPKLDZCRMZSW-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

N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
(2S)-N,N-diethyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 110287094
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide (CID 114300105) is N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(CCl)c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is GWYPKLDZCRMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-15-9-7-13(8-10-15)11-17(20)19-16(12-18)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide?
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide 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 N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 114300105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).