(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide

C17H16Cl2FNO2 — CID 99956967

IUPAC(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c1-2-16(23-14-7-5-13(20)6-8-14)17(22)21-10-11-3-4-12(18)9-15(11)19/h3-9,16H,2,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyFCYONUJSBNBNOE-INIZCTEOSA-N
MW356.22 g/mol
LogP4.61
Rot. Bonds6

About (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide

(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 99956967) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
PubChem CID99956967
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c1-2-16(23-14-7-5-13(20)6-8-14)17(22)21-10-11-3-4-12(18)9-15(11)19/h3-9,16H,2,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyFCYONUJSBNBNOE-INIZCTEOSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54776466
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54785489
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenoxybutanamide
CID 54785530
2-(4-chloro-3-methylphenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]butanamide
CID 132673957
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide (CID 99956967) is (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is FCYONUJSBNBNOE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c1-2-16(23-14-7-5-13(20)6-8-14)17(22)21-10-11-3-4-12(18)9-15(11)19/h3-9,16H,2,10H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide?
(2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 356.22 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dichlorophenyl)methyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 99956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).