2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide

C18H20ClNO2 — CID 123862391

IUPAC2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(CC(C)NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-13-3-5-15(6-4-13)11-14(2)20-18(21)12-22-17-9-7-16(19)8-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyGVQKUFIPHORZPE-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.77
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide

2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide (PubChem CID 123862391) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
PubChem CID123862391
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(CC(C)NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2/c1-13-3-5-15(6-4-13)11-14(2)20-18(21)12-22-17-9-7-16(19)8-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21)
InChIKeyGVQKUFIPHORZPE-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-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]acetamide;hydrochloride
CID 119316433
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
CID 119771338
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide (CID 123862391) is 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide is Cc1ccc(CC(C)NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
The InChIKey is GVQKUFIPHORZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-3-5-15(6-4-13)11-14(2)20-18(21)12-22-17-9-7-16(19)8-10-17/h3-10,14H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)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-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 123862391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).