2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide

C17H18ClNO2 — CID 9292846

IUPAC2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-19-17(20)12-21-16-9-8-15(18)11-14(16)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,20)
InChIKeyRRLXGWHKFLNRJN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.45
Rot. Bonds6

About 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide

2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide (PubChem CID 9292846) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
PubChem CID9292846
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(Cl)cc1Cc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-19-17(20)12-21-16-9-8-15(18)11-14(16)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,20)
InChIKeyRRLXGWHKFLNRJN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-4-chlorophenoxy)propan-2-one
CID 60626538
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]-N-ethylacetamide
CID 63058398
2-(2-benzyl-4-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671468
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 33482790
(2R)-2-amino-N-[(2S)-1-[[5-chloro-2-[2-(ethylamino)-2-oxoethoxy]phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 156653864
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-[2-(benzylamino)-2-oxoethoxy]-5-chlorobenzoic acid
CID 45417869
N-[2-(2-benzyl-4-chlorophenoxy)ethyl]propan-1-amine
CID 63516060
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide (CID 9292846) is 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(Cl)cc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide?
The InChIKey is RRLXGWHKFLNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-19-17(20)12-21-16-9-8-15(18)11-14(16)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,20).
What are the key properties of 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide?
2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide has a molecular weight of 303.79 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-chlorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 9292846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).