(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide

C16H14Cl2FNO2 — CID 94020016

IUPAC(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-2-15(22-14-5-3-12(19)4-6-14)16(21)20-13-8-10(17)7-11(18)9-13/h3-9,15H,2H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyPGPNPAVZXSEUMB-HNNXBMFYSA-N
MW342.20 g/mol
LogP4.93
Rot. Bonds5

About (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide

(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide (PubChem CID 94020016) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
PubChem CID94020016
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-2-15(22-14-5-3-12(19)4-6-14)16(21)20-13-8-10(17)7-11(18)9-13/h3-9,15H,2H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyPGPNPAVZXSEUMB-HNNXBMFYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
N-(2-chlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 46771035
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
CID 46772392
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide (CID 94020016) is (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is PGPNPAVZXSEUMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-2-15(22-14-5-3-12(19)4-6-14)16(21)20-13-8-10(17)7-11(18)9-13/h3-9,15H,2H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide?
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 342.20 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 94020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).