(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide

C15H12Cl3NO2 — CID 7467081

IUPAC(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-14-7-11(17)5-12(18)8-14)15(20)19-13-4-2-3-10(16)6-13/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyYWBHAXPOCFBBIX-VIFPVBQESA-N
MW344.63 g/mol
LogP5.05
Rot. Bonds4

About (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide

(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide (PubChem CID 7467081) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
PubChem CID7467081
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
SMILESC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-14-7-11(17)5-12(18)8-14)15(20)19-13-4-2-3-10(16)6-13/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyYWBHAXPOCFBBIX-VIFPVBQESA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
CID 9497360
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467191
(2R)-N-(4-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467192
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide (CID 7467081) is (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide is C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide?
The InChIKey is YWBHAXPOCFBBIX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-9(21-14-7-11(17)5-12(18)8-14)15(20)19-13-4-2-3-10(16)6-13/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide?
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide has a molecular weight of 344.63 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide is sourced from PubChem (CID 7467081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).