ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate

C19H21ClN2O4 — CID 112976938

IUPACethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-3-25-18(23)14-5-7-15(8-6-14)22-19(24)21-10-11-26-17-12-13(2)4-9-16(17)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
InChIKeyUFGDZWHHFLSBAI-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.03
Rot. Bonds7

About ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate

ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate (PubChem CID 112976938) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
PubChem CID112976938
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Nameethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCOc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-3-25-18(23)14-5-7-15(8-6-14)22-19(24)21-10-11-26-17-12-13(2)4-9-16(17)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
InChIKeyUFGDZWHHFLSBAI-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.03
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

1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-[4-(dimethylamino)phenyl]urea
CID 112976924
1-(3-bromo-4-methylphenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976901
ethyl 4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971489
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-(3-cyanophenyl)urea
CID 112976946
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
1-(4-cyanophenyl)-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973594

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate (CID 112976938) is ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCCOc2cc(C)ccc2Cl)cc1.
What is the InChIKey of ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate?
The InChIKey is UFGDZWHHFLSBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-3-25-18(23)14-5-7-15(8-6-14)22-19(24)21-10-11-26-17-12-13(2)4-9-16(17)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24).
What are the key properties of ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate?
ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate has a molecular weight of 376.84 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 112976938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).