ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate

C18H19ClN2O3 — CID 108991922

IUPACethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-4-24-17(22)13-7-5-6-8-15(13)20-18(23)21-16-12(3)9-11(2)10-14(16)19/h5-10H,4H2,1-3H3,(H2,20,21,23)
InChIKeyGZHGRKDAQVTRQV-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.78
Rot. Bonds4

About ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate

ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate (PubChem CID 108991922) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
PubChem CID108991922
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Nameethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-4-24-17(22)13-7-5-6-8-15(13)20-18(23)21-16-12(3)9-11(2)10-14(16)19/h5-10H,4H2,1-3H3,(H2,20,21,23)
InChIKeyGZHGRKDAQVTRQV-UHFFFAOYSA-N
XLogP4.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960
ethyl 2-[2-(2,4,6-trimethylphenoxy)ethylcarbamoylamino]benzoate
CID 112974677
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
ethyl 2-[[2-(2-chloro-4-methylanilino)acetyl]amino]benzoate
CID 9099399
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
ethyl 2-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 2969501
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797
ethyl 2-[[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoylamino]benzoate
CID 53114196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate (CID 108991922) is ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate?
The InChIKey is GZHGRKDAQVTRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-4-24-17(22)13-7-5-6-8-15(13)20-18(23)21-16-12(3)9-11(2)10-14(16)19/h5-10H,4H2,1-3H3,(H2,20,21,23).
What are the key properties of ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate?
ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate has a molecular weight of 346.81 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-4,6-dimethylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108991922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).