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

C17H17ClN2O4 — CID 23881279

IUPACethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(OC)c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-3-24-16(21)11-4-6-12(7-5-11)19-17(22)20-13-8-9-14(18)15(10-13)23-2/h4-10H,3H2,1-2H3,(H2,19,20,22)
InChIKeyIJWLVKAVFRTPOP-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.17
Rot. Bonds5

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

ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate (PubChem CID 23881279) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
PubChem CID23881279
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Nameethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(OC)c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-3-24-16(21)11-4-6-12(7-5-11)19-17(22)20-13-8-9-14(18)15(10-13)23-2/h4-10H,3H2,1-2H3,(H2,19,20,22)
InChIKeyIJWLVKAVFRTPOP-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-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[2-(2-chloro-5-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976938
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
ethyl 4-[(2-chloro-4,5-dimethylphenoxy)carbonylamino]benzoate
CID 3368957

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate (CID 23881279) is ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(OC)c2)cc1.
What is the InChIKey of ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate?
The InChIKey is IJWLVKAVFRTPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-3-24-16(21)11-4-6-12(7-5-11)19-17(22)20-13-8-9-14(18)15(10-13)23-2/h4-10H,3H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate?
ethyl 4-[(4-chloro-3-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 4-[(4-chloro-3-methoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 23881279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).