(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide

C15H12Cl3NO2 — CID 2631906

IUPAC(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-14-5-3-2-4-13(14)18)15(20)19-12-7-10(16)6-11(17)8-12/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyVZUPWNDNOLMQEY-VIFPVBQESA-N
MW344.63 g/mol
LogP5.05
Rot. Bonds4

About (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide (PubChem CID 2631906) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
PubChem CID2631906
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl3NO2/c1-9(21-14-5-3-2-4-13(14)18)15(20)19-12-7-10(16)6-11(17)8-12/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyVZUPWNDNOLMQEY-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-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 56686980
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
(2S)-N-(3,5-dichlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide (CID 2631906) is (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide is C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is VZUPWNDNOLMQEY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-9(21-14-5-3-2-4-13(14)18)15(20)19-12-7-10(16)6-11(17)8-12/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)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)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 2631906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).