(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide

C17H17Cl2NO3 — CID 42082552

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-16(23-13-7-5-12(22-2)6-8-13)17(21)20-15-10-11(18)4-9-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyLCTBMHASVMPBPV-INIZCTEOSA-N
MW354.23 g/mol
LogP4.80
Rot. Bonds6

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

(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 42082552) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
PubChem CID42082552
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO3/c1-3-16(23-13-7-5-12(22-2)6-8-13)17(21)20-15-10-11(18)4-9-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyLCTBMHASVMPBPV-INIZCTEOSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N-(2,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034426
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
2-(4-chloro-3-methylphenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 132653122
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide (CID 42082552) is (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide is CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide?
The InChIKey is LCTBMHASVMPBPV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-3-16(23-13-7-5-12(22-2)6-8-13)17(21)20-15-10-11(18)4-9-14(15)19/h4-10,16H,3H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide?
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide has a molecular weight of 354.23 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 42082552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).