ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate

C19H19ClN2O5 — CID 11654003

IUPACethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClN2O5/c1-3-26-17(23)12-5-7-13(8-6-12)21-19(25)22-14-9-10-15(16(20)11-14)18(24)27-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,25)
InChIKeyLQIGNEFYRGFEDC-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.34
Rot. Bonds6

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

ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate (PubChem CID 11654003) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
PubChem CID11654003
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Nameethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClN2O5/c1-3-26-17(23)12-5-7-13(8-6-12)21-19(25)22-14-9-10-15(16(20)11-14)18(24)27-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,25)
InChIKeyLQIGNEFYRGFEDC-UHFFFAOYSA-N
XLogP4.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
CID 23881279
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 2-chloro-4-(propylamino)benzoate
CID 154119419
ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 2-chloro-4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 100589864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate (CID 11654003) is ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OCC)c(Cl)c2)cc1.
What is the InChIKey of ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate?
The InChIKey is LQIGNEFYRGFEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-3-26-17(23)12-5-7-13(8-6-12)21-19(25)22-14-9-10-15(16(20)11-14)18(24)27-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,25).
What are the key properties of ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate?
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate has a molecular weight of 390.82 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 11654003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).