ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate

C19H20ClNO3 — CID 7045199

IUPACethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@@H](NC(=O)c1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-3-24-18(22)12-17(15-10-6-7-11-16(15)20)21-19(23)14-9-5-4-8-13(14)2/h4-11,17H,3,12H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyXGSIMTSKONAKOZ-QGZVFWFLSA-N
MW345.83 g/mol
LogP4.07
Rot. Bonds6

About ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate

ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 7045199) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
PubChem CID7045199
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Nameethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
SMILESCCOC(=O)C[C@@H](NC(=O)c1ccccc1C)c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c1-3-24-18(22)12-17(15-10-6-7-11-16(15)20)21-19(23)14-9-5-4-8-13(14)2/h4-11,17H,3,12H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyXGSIMTSKONAKOZ-QGZVFWFLSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.07
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-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783
ethyl 3-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]propanoate
CID 3500654
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 51276559
ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
ethyl (3S)-3-(2-chlorophenyl)-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoate
CID 2139759
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790
ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
CID 7310519
[2-(ethoxycarbonylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757828

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate (CID 7045199) is ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate is CCOC(=O)C[C@@H](NC(=O)c1ccccc1C)c1ccccc1Cl.
What is the InChIKey of ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is XGSIMTSKONAKOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-24-18(22)12-17(15-10-6-7-11-16(15)20)21-19(23)14-9-5-4-8-13(14)2/h4-11,17H,3,12H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate?
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 345.83 g/mol, XLogP of 4.07, 6 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-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 7045199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).