ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate

C17H17ClN2O4 — CID 108991960

IUPACethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-3-24-16(21)12-6-4-5-7-14(12)20-17(22)19-11-8-9-15(23-2)13(18)10-11/h4-10H,3H2,1-2H3,(H2,19,20,22)
InChIKeySOQVAEZAKFGTNP-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.17
Rot. Bonds5

About ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate

ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate (PubChem CID 108991960) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
PubChem CID108991960
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Nameethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-3-24-16(21)12-6-4-5-7-14(12)20-17(22)19-11-8-9-15(23-2)13(18)10-11/h4-10H,3H2,1-2H3,(H2,19,20,22)
InChIKeySOQVAEZAKFGTNP-UHFFFAOYSA-N
XLogP4.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108955430
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate (CID 108991960) is ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
The InChIKey is SOQVAEZAKFGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-24-16(21)12-6-4-5-7-14(12)20-17(22)19-11-8-9-15(23-2)13(18)10-11/h4-10H,3H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate has a molecular weight of 348.79 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108991960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).