(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

C17H17Cl2NO2 — CID 92676441

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-12(22-16-6-4-3-5-15(16)19)17(21)20(2)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyNUJLGHWWNPVQIJ-LBPRGKRZSA-N
MW338.23 g/mol
LogP4.42
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 92676441) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID92676441
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-12(22-16-6-4-3-5-15(16)19)17(21)20(2)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyNUJLGHWWNPVQIJ-LBPRGKRZSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
3-[2-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989868
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 46770642
2-(2,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylpropanamide
CID 4882099
2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 55582760
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (CID 92676441) is (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is C[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is NUJLGHWWNPVQIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-12(22-16-6-4-3-5-15(16)19)17(21)20(2)11-13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 338.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 92676441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).