[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate

C18H19Cl2NO2 — CID 989933

IUPAC[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
SMILESC[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-13(11-21(2)12-14-6-4-3-5-7-14)23-18(22)16-9-8-15(19)10-17(16)20/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyKWZHWERPWGLLTG-CYBMUJFWSA-N
MW352.26 g/mol
LogP4.67
Rot. Bonds6

About [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate

[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate (PubChem CID 989933) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
PubChem CID989933
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate
SMILESC[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-13(11-21(2)12-14-6-4-3-5-7-14)23-18(22)16-9-8-15(19)10-17(16)20/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
InChIKeyKWZHWERPWGLLTG-CYBMUJFWSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2-iodobenzoate
CID 989930
1-[benzyl(methyl)amino]propan-2-yl 2-bromobenzoate;hydrochloride
CID 17065283
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] thiophene-2-carboxylate
CID 1089166
[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
CID 57177466
[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508328
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
[(2S)-1-morpholin-4-ium-4-ylpropan-2-yl] 2,4-dichlorobenzoate
CID 6956935
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62052399

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate?
The IUPAC name of [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate (CID 989933) is [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate.
What is the SMILES notation for [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate?
The canonical SMILES for [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate is C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate?
The InChIKey is KWZHWERPWGLLTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-13(11-21(2)12-14-6-4-3-5-7-14)23-18(22)16-9-8-15(19)10-17(16)20/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate?
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate has a molecular weight of 352.26 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2,4-dichlorobenzoate is sourced from PubChem (CID 989933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).