methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate

C19H19Cl2NO4 — CID 55668550

IUPACmethyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCOc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-25-19(24)12-17(13-5-7-14(20)8-6-13)22-18(23)9-10-26-16-4-2-3-15(21)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,22,23)
InChIKeyNWBQNVWWKPOWKH-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.18
Rot. Bonds8

About methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate

methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate (PubChem CID 55668550) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate
PubChem CID55668550
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Namemethyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCOc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19Cl2NO4/c1-25-19(24)12-17(13-5-7-14(20)8-6-13)22-18(23)9-10-26-16-4-2-3-15(21)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,22,23)
InChIKeyNWBQNVWWKPOWKH-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl 3-[4-(3-bromophenoxy)butanoylamino]-3-phenylpropanoate
CID 46483417
methyl 3-(4-chlorophenyl)-3-[[3-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]propanoate
CID 55775972
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
(2S)-2-[3-(3-chlorophenoxy)propanoylamino]pentanoic acid
CID 107564597
methyl 3-[(2-aminoacetyl)amino]-3-[4-(3-chlorophenyl)phenyl]propanoate;hydrochloride
CID 18518133
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530
methyl 3-(4-chlorophenyl)-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]propanoate
CID 55608334
methyl 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 56515220
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
methyl 3-(4-chlorophenyl)-3-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]propanoate
CID 55436102

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate?
The IUPAC name of methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate (CID 55668550) is methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate?
The canonical SMILES for methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate is COC(=O)CC(NC(=O)CCOc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate?
The InChIKey is NWBQNVWWKPOWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-25-19(24)12-17(13-5-7-14(20)8-6-13)22-18(23)9-10-26-16-4-2-3-15(21)11-16/h2-8,11,17H,9-10,12H2,1H3,(H,22,23).
What are the key properties of methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate?
methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate has a molecular weight of 396.27 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-chlorophenoxy)propanoylamino]-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 55668550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).