2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide

C17H18ClNO2 — CID 30399638

IUPAC2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-16(13-6-4-3-5-7-13)19-17(20)12-21-15-10-8-14(18)9-11-15/h3-11,16H,2,12H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyXYOQHYJQIIEIPP-INIZCTEOSA-N
MW303.79 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide

2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 30399638) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID30399638
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-16(13-6-4-3-5-7-13)19-17(20)12-21-15-10-8-14(18)9-11-15/h3-11,16H,2,12H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyXYOQHYJQIIEIPP-INIZCTEOSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
(3S)-3-(4-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoic acid
CID 7045114
N-[1-(4-chlorophenyl)propyl]-2-phenylmethoxyacetamide
CID 55497591
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide (CID 30399638) is 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is XYOQHYJQIIEIPP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-16(13-6-4-3-5-7-13)19-17(20)12-21-15-10-8-14(18)9-11-15/h3-11,16H,2,12H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide?
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 30399638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).