2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate

C18H19ClN2O4 — CID 19171666

IUPAC2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-2-24-10-11-25-17(22)13-6-8-15(9-7-13)20-18(23)21-16-5-3-4-14(19)12-16/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23)
InChIKeyMAJIJWJXQAAILD-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.18
Rot. Bonds7

About 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate

2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate (PubChem CID 19171666) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate
PubChem CID19171666
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-2-24-10-11-25-17(22)13-6-8-15(9-7-13)20-18(23)21-16-5-3-4-14(19)12-16/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23)
InChIKeyMAJIJWJXQAAILD-UHFFFAOYSA-N
XLogP4.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.18
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 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
ethyl 4-[3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 27454070
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 19171776
2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate
CID 19171765
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
ethyl 4-[(3-cyanophenyl)carbamoylamino]benzoate
CID 46859859
2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
CID 19172803

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate?
The IUPAC name of 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate (CID 19171666) is 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate is CCOCCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate?
The InChIKey is MAJIJWJXQAAILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-2-24-10-11-25-17(22)13-6-8-15(9-7-13)20-18(23)21-16-5-3-4-14(19)12-16/h3-9,12H,2,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate?
2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate has a molecular weight of 362.81 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 19171666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).