(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide

C18H19Cl2NO2 — CID 94016620

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-17(23-16-6-4-5-15(20)11-16)18(22)21(2)12-13-7-9-14(19)10-8-13/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1
InChIKeyCVDYVGZEHCISAQ-KRWDZBQOSA-N
MW352.26 g/mol
LogP4.81
Rot. Bonds6

About (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide

(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide (PubChem CID 94016620) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
PubChem CID94016620
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-17(23-16-6-4-5-15(20)11-16)18(22)21(2)12-13-7-9-14(19)10-8-13/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1
InChIKeyCVDYVGZEHCISAQ-KRWDZBQOSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 46770642
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
CID 13232221
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 38011722
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
CID 132651221
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxybutanamide
CID 17096204
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide (CID 94016620) is (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide?
The InChIKey is CVDYVGZEHCISAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-17(23-16-6-4-5-15(20)11-16)18(22)21(2)12-13-7-9-14(19)10-8-13/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide?
(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide has a molecular weight of 352.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 94016620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).