(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide

C17H17ClFNO3 — CID 93486662

IUPAC(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H17ClFNO3/c1-3-15(23-13-7-4-11(19)5-8-13)17(21)20-12-6-9-16(22-2)14(18)10-12/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyLJJPKTOMLALQJP-HNNXBMFYSA-N
MW337.78 g/mol
LogP4.28
Rot. Bonds6

About (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide (PubChem CID 93486662) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
PubChem CID93486662
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H17ClFNO3/c1-3-15(23-13-7-4-11(19)5-8-13)17(21)20-12-6-9-16(22-2)14(18)10-12/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyLJJPKTOMLALQJP-HNNXBMFYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100766309
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide (CID 93486662) is (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is LJJPKTOMLALQJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-3-15(23-13-7-4-11(19)5-8-13)17(21)20-12-6-9-16(22-2)14(18)10-12/h4-10,15H,3H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide?
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 337.78 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 93486662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).