N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide

C16H13Cl4NO2 — CID 7832863

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl4NO2/c1-9(10-3-2-4-11(17)5-10)21-16(22)8-23-15-7-13(19)12(18)6-14(15)20/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m0/s1
InChIKeyROBCXVAYMPQJDJ-VIFPVBQESA-N
MW393.10 g/mol
LogP5.56
Rot. Bonds5

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 7832863) has the molecular formula C16H13Cl4NO2 and a molecular weight of 393.10 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID7832863
Molecular FormulaC16H13Cl4NO2
Molecular Weight393.10 g/mol
Exact Mass390.97
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl4NO2/c1-9(10-3-2-4-11(17)5-10)21-16(22)8-23-15-7-13(19)12(18)6-14(15)20/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m0/s1
InChIKeyROBCXVAYMPQJDJ-VIFPVBQESA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.10
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 7787848
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
2-(2-chloro-4-nitrophenoxy)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7509267
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846282
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8919369
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788222

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 7832863) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide is C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is ROBCXVAYMPQJDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13Cl4NO2/c1-9(10-3-2-4-11(17)5-10)21-16(22)8-23-15-7-13(19)12(18)6-14(15)20/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 393.10 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 7832863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).