dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate

C18H17ClN2O6 — CID 2209325

IUPACdimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H17ClN2O6/c1-25-15-7-5-11(19)9-14(15)21-18(24)20-13-8-10(16(22)26-2)4-6-12(13)17(23)27-3/h4-9H,1-3H3,(H2,20,21,24)
InChIKeyFONPVNYNNLOIPF-UHFFFAOYSA-N
MW392.80 g/mol
LogP3.57
Rot. Bonds5

About dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate

dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate (PubChem CID 2209325) has the molecular formula C18H17ClN2O6 and a molecular weight of 392.80 g/mol. Its IUPAC name is dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
PubChem CID2209325
Molecular FormulaC18H17ClN2O6
Molecular Weight392.80 g/mol
Exact Mass392.08
IUPAC Namedimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C18H17ClN2O6/c1-25-15-7-5-11(19)9-14(15)21-18(24)20-13-8-10(16(22)26-2)4-6-12(13)17(23)27-3/h4-9H,1-3H3,(H2,20,21,24)
InChIKeyFONPVNYNNLOIPF-UHFFFAOYSA-N
XLogP3.57
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[N-chloro-C-(2,4-dichlorophenyl)carbonimidoyl]amino]-4-methoxybenzoate
CID 69119733
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 1358412
dimethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,4-dicarboxylate
CID 22388140
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
dimethyl 2-[(4-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 108866342
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 46859737
dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 4804810
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate (CID 2209325) is dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
The InChIKey is FONPVNYNNLOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O6/c1-25-15-7-5-11(19)9-14(15)21-18(24)20-13-8-10(16(22)26-2)4-6-12(13)17(23)27-3/h4-9H,1-3H3,(H2,20,21,24).
What are the key properties of dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate?
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate has a molecular weight of 392.80 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 2209325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).