N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide

C17H15Cl2NO3 — CID 7762560

IUPACN-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccccc1C=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO3/c1-11(12-6-7-14(18)15(19)8-12)20-17(22)10-23-16-5-3-2-4-13(16)9-21/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyQZVDZLGQFVFIPV-NSHDSACASA-N
MW352.22 g/mol
LogP4.06
Rot. Bonds6

About N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide (PubChem CID 7762560) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide
PubChem CID7762560
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC NameN-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccccc1C=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2NO3/c1-11(12-6-7-14(18)15(19)8-12)20-17(22)10-23-16-5-3-2-4-13(16)9-21/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyQZVDZLGQFVFIPV-NSHDSACASA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-formylphenoxy)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 166405139
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 132652703
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
4-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7931207
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832863
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide (CID 7762560) is N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide is C[C@H](NC(=O)COc1ccccc1C=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is QZVDZLGQFVFIPV-NSHDSACASA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-11(12-6-7-14(18)15(19)8-12)20-17(22)10-23-16-5-3-2-4-13(16)9-21/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide?
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 352.22 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 7762560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).