ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate

C20H21Cl2NO4 — CID 6733974

IUPACethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate
SMILESCCOC(=O)C(Cc1ccc(Cl)cc1)NC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO4/c1-2-26-19(24)18(13-14-7-9-16(21)10-8-14)23-20(25)27-12-11-15-5-3-4-6-17(15)22/h3-10,18H,2,11-13H2,1H3,(H,23,25)
InChIKeyMUDGIWQPFCGMIN-UHFFFAOYSA-N
MW410.30 g/mol
LogP4.44
Rot. Bonds8

About ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate

ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate (PubChem CID 6733974) has the molecular formula C20H21Cl2NO4 and a molecular weight of 410.30 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate
PubChem CID6733974
Molecular FormulaC20H21Cl2NO4
Molecular Weight410.30 g/mol
Exact Mass409.08
IUPAC Nameethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate
SMILESCCOC(=O)C(Cc1ccc(Cl)cc1)NC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO4/c1-2-26-19(24)18(13-14-7-9-16(21)10-8-14)23-20(25)27-12-11-15-5-3-4-6-17(15)22/h3-10,18H,2,11-13H2,1H3,(H,23,25)
InChIKeyMUDGIWQPFCGMIN-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 11001050
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 3916130
ethyl (2S)-3-(4-chlorophenyl)-2-(naphthalene-1-carbonylamino)propanoate
CID 22093441
ethyl 2-[2-(3-methoxyphenyl)ethoxycarbonylamino]-3-phenylpropanoate
CID 6736819
ethyl 3-phenyl-2-[2-(phenylmethoxycarbonylamino)butanoylamino]propanoate;propane
CID 143293600
tert-butyl 2-[2-(4-chlorophenyl)ethoxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 6735160
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
benzyl (2R)-3-(4-chlorophenyl)-2-[[(2R)-2-iodopropanoyl]amino]propanoate
CID 126591111
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
ethyl 2-acetamido-3-[4-[2-[4-(2-acetamido-3-ethoxy-3-oxopropyl)phenyl]ethyl]phenyl]propanoate
CID 101157552
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate (CID 6733974) is ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate is CCOC(=O)C(Cc1ccc(Cl)cc1)NC(=O)OCCc1ccccc1Cl.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate?
The InChIKey is MUDGIWQPFCGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO4/c1-2-26-19(24)18(13-14-7-9-16(21)10-8-14)23-20(25)27-12-11-15-5-3-4-6-17(15)22/h3-10,18H,2,11-13H2,1H3,(H,23,25).
What are the key properties of ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate?
ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate has a molecular weight of 410.30 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-2-[2-(2-chlorophenyl)ethoxycarbonylamino]propanoate is sourced from PubChem (CID 6733974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).