ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate

C19H20Cl2N2O3 — CID 70018029

IUPACethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CC(NC(=O)C(Cl)c1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-26-17(24)11-16(13-4-3-5-15(22)10-13)23-19(25)18(21)12-6-8-14(20)9-7-12/h3-10,16,18H,2,11,22H2,1H3,(H,23,25)
InChIKeySLJXXRZDVWWFIZ-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.01
Rot. Bonds7

About ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate

ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate (PubChem CID 70018029) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate
PubChem CID70018029
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Nameethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCCOC(=O)CC(NC(=O)C(Cl)c1ccc(Cl)cc1)c1cccc(N)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-26-17(24)11-16(13-4-3-5-15(22)10-13)23-19(25)18(21)12-6-8-14(20)9-7-12/h3-10,16,18H,2,11,22H2,1H3,(H,23,25)
InChIKeySLJXXRZDVWWFIZ-UHFFFAOYSA-N
XLogP4.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-aminooxypropanoylamino)-3-(3-chlorophenyl)propanoate
CID 167929050
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate
CID 101040228
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876804
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
ethyl (3S)-3-(3-aminophenyl)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoate
CID 140935682
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
ethyl 2-[1-(3-aminophenyl)ethylsulfamoyl]acetate
CID 61456809
ethyl 3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55878086
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 3-[2-(methanesulfonamido)propanoylamino]-3-(3-methoxyphenyl)propanoate
CID 47926217
ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
CID 120626395

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate (CID 70018029) is ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate is CCOC(=O)CC(NC(=O)C(Cl)c1ccc(Cl)cc1)c1cccc(N)c1.
What is the InChIKey of ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate?
The InChIKey is SLJXXRZDVWWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-26-17(24)11-16(13-4-3-5-15(22)10-13)23-19(25)18(21)12-6-8-14(20)9-7-12/h3-10,16,18H,2,11,22H2,1H3,(H,23,25).
What are the key properties of ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate?
ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate has a molecular weight of 395.29 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-aminophenyl)-3-[[2-chloro-2-(4-chlorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 70018029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).