2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

C18H20ClNO2 — CID 133199387

IUPAC2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OCC(C)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-13-6-3-4-9-17(13)22-12-14(2)20-18(21)11-15-7-5-8-16(19)10-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyJFDRVJIWTJRGTQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.77
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 133199387) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID133199387
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OCC(C)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-13-6-3-4-9-17(13)22-12-14(2)20-18(21)11-15-7-5-8-16(19)10-15/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyJFDRVJIWTJRGTQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
2-(2-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133166960
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895429
1-(3-chlorophenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045497
(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate
CID 110670302
4-chloro-2-fluoro-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 95161875
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
2-(3,5-dimethoxyphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132654122
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897969

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (CID 133199387) is 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is Cc1ccccc1OCC(C)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is JFDRVJIWTJRGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-6-3-4-9-17(13)22-12-14(2)20-18(21)11-15-7-5-8-16(19)10-15/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 133199387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).