N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide

C18H20ClNO2 — CID 7893515

IUPACN-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-13(2)14-7-5-8-16(10-14)22-12-18(21)20-11-15-6-3-4-9-17(15)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyTZTZTNWTJRQHSU-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.16
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 7893515) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID7893515
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClNO2/c1-13(2)14-7-5-8-16(10-14)22-12-18(21)20-11-15-6-3-4-9-17(15)19/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyTZTZTNWTJRQHSU-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
(2S)-N-[(2-chlorophenyl)methyl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 2450720
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55693906
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
CID 103957835
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
N-[(2-chlorophenyl)methyl]-2-quinolin-6-yloxyacetamide
CID 112978604
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 7893515) is N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is TZTZTNWTJRQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13(2)14-7-5-8-16(10-14)22-12-18(21)20-11-15-6-3-4-9-17(15)19/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7893515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).