ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate

C18H18ClF2NO2 — CID 7044452

IUPACethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate
SMILESCCOC(=O)C[C@@H](NCc1c(F)cccc1F)c1ccccc1Cl
InChIInChI=1S/C18H18ClF2NO2/c1-2-24-18(23)10-17(12-6-3-4-7-14(12)19)22-11-13-15(20)8-5-9-16(13)21/h3-9,17,22H,2,10-11H2,1H3/t17-/m1/s1
InChIKeyORMQZUZKRONMQI-QGZVFWFLSA-N
MW353.80 g/mol
LogP4.40
Rot. Bonds7

About ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate

ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate (PubChem CID 7044452) has the molecular formula C18H18ClF2NO2 and a molecular weight of 353.80 g/mol. Its IUPAC name is ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate
PubChem CID7044452
Molecular FormulaC18H18ClF2NO2
Molecular Weight353.80 g/mol
Exact Mass353.10
IUPAC Nameethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate
SMILESCCOC(=O)C[C@@H](NCc1c(F)cccc1F)c1ccccc1Cl
InChIInChI=1S/C18H18ClF2NO2/c1-2-24-18(23)10-17(12-6-3-4-7-14(12)19)22-11-13-15(20)8-5-9-16(13)21/h3-9,17,22H,2,10-11H2,1H3/t17-/m1/s1
InChIKeyORMQZUZKRONMQI-QGZVFWFLSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 7310515
ethyl (3R)-3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 7298836
ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
CID 7310519
ethyl 3-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]propanoate
CID 3500654
ethyl 3-(2-chlorophenyl)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]propanoate
CID 5295418
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate?
The IUPAC name of ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate (CID 7044452) is ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate.
What is the SMILES notation for ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate?
The canonical SMILES for ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate is CCOC(=O)C[C@@H](NCc1c(F)cccc1F)c1ccccc1Cl.
What is the InChIKey of ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate?
The InChIKey is ORMQZUZKRONMQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClF2NO2/c1-2-24-18(23)10-17(12-6-3-4-7-14(12)19)22-11-13-15(20)8-5-9-16(13)21/h3-9,17,22H,2,10-11H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate?
ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate has a molecular weight of 353.80 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(2-chlorophenyl)-3-[(2,6-difluorophenyl)methylamino]propanoate is sourced from PubChem (CID 7044452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).