2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate

C18H18Cl2N2O4 — CID 7805347

IUPAC2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
SMILESO=C(NCCC(=O)OCCOc1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C18H18Cl2N2O4/c19-13-6-7-16(15(20)12-13)25-10-11-26-17(23)8-9-21-18(24)22-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H2,21,22,24)
InChIKeyJOXLGSLAOFCOQU-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.13
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate

2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate (PubChem CID 7805347) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
PubChem CID7805347
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
SMILESO=C(NCCC(=O)OCCOc1ccc(Cl)cc1Cl)Nc1ccccc1
InChIInChI=1S/C18H18Cl2N2O4/c19-13-6-7-16(15(20)12-13)25-10-11-26-17(23)8-9-21-18(24)22-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H2,21,22,24)
InChIKeyJOXLGSLAOFCOQU-UHFFFAOYSA-N
XLogP4.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610773
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(3-chlorophenyl)urea
CID 112977061
2-phenylethyl 4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoate
CID 4946981
3-[(2,4-dichlorophenoxy)methylcarbamoylamino]benzoic acid
CID 108880826
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(3-chlorophenyl)urea
CID 108882394
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805410
1-[(2,4-dichlorophenoxy)methyl]-3-(3-hydroxyphenyl)urea
CID 108880828

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate (CID 7805347) is 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate is O=C(NCCC(=O)OCCOc1ccc(Cl)cc1Cl)Nc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate?
The InChIKey is JOXLGSLAOFCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c19-13-6-7-16(15(20)12-13)25-10-11-26-17(23)8-9-21-18(24)22-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H2,21,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate?
2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate has a molecular weight of 397.26 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 7805347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).