(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide

C16H15Cl2NO2 — CID 894862

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11(21-14-7-4-6-13(17)9-14)16(20)19-10-12-5-2-3-8-15(12)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyFHPPCURCUVGFFZ-NSHDSACASA-N
MW324.21 g/mol
LogP4.08
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 894862) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID894862
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-11(21-14-7-4-6-13(17)9-14)16(20)19-10-12-5-2-3-8-15(12)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyFHPPCURCUVGFFZ-NSHDSACASA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
CID 24511812
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide (CID 894862) is (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is FHPPCURCUVGFFZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11(21-14-7-4-6-13(17)9-14)16(20)19-10-12-5-2-3-8-15(12)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 324.21 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 894862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).