ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate

C18H17Cl2NO3 — CID 101040228

IUPACethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](NC(=O)[C@@H](Cl)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-18(23)16(13-6-4-3-5-7-13)21-17(22)15(20)12-8-10-14(19)11-9-12/h3-11,15-16H,2H2,1H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyOGYBPCIRANQRMY-JKSUJKDBSA-N
MW366.24 g/mol
LogP4.04
Rot. Bonds6

About ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate

ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate (PubChem CID 101040228) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate
PubChem CID101040228
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Nameethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate
SMILESCCOC(=O)[C@H](NC(=O)[C@@H](Cl)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-2-24-18(23)16(13-6-4-3-5-7-13)21-17(22)15(20)12-8-10-14(19)11-9-12/h3-11,15-16H,2H2,1H3,(H,21,22)/t15-,16+/m0/s1
InChIKeyOGYBPCIRANQRMY-JKSUJKDBSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate
CID 70018029
2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
CID 43697058
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
ethyl 2-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892665
butyl (2R)-2-acetamido-2-phenylacetate
CID 11096964
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
ethyl 2-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-phenylacetate
CID 108808301
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate (CID 101040228) is ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate is CCOC(=O)[C@H](NC(=O)[C@@H](Cl)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate?
The InChIKey is OGYBPCIRANQRMY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-2-24-18(23)16(13-6-4-3-5-7-13)21-17(22)15(20)12-8-10-14(19)11-9-12/h3-11,15-16H,2H2,1H3,(H,21,22)/t15-,16+/m0/s1.
What are the key properties of ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate?
ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate has a molecular weight of 366.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 101040228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).