methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate

C15H12Cl2N2O3 — CID 84514488

IUPACmethyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)12-8-11(6-7-13(12)17)19-15(21)18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,18,19,21)
InChIKeyOTAQLVGBGUXOPR-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.42
Rot. Bonds3

About methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate

methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate (PubChem CID 84514488) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
PubChem CID84514488
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Namemethyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-22-14(20)12-8-11(6-7-13(12)17)19-15(21)18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,18,19,21)
InChIKeyOTAQLVGBGUXOPR-UHFFFAOYSA-N
XLogP4.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
methyl 2-[bis(4-chlorophenyl)methoxy]-5-[[4-(hydroxymethyl)phenyl]carbamoylamino]benzoate
CID 91261639
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
methyl 5-[(1-carbamoylcycloheptyl)carbamoylamino]-2-chlorobenzoate
CID 72889670
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate (CID 84514488) is methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate is COC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate?
The InChIKey is OTAQLVGBGUXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-14(20)12-8-11(6-7-13(12)17)19-15(21)18-10-4-2-9(16)3-5-10/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate?
methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate has a molecular weight of 339.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 84514488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).