methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate

C15H11Cl2NO3 — CID 108785394

IUPACmethyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-21-15(20)11-5-3-2-4-10(11)14(19)18-13-8-9(16)6-7-12(13)17/h2-8H,1H3,(H,18,19)
InChIKeyRETILAPUKRRBGU-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.03
Rot. Bonds3

About methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate

methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate (PubChem CID 108785394) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
PubChem CID108785394
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Namemethyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-21-15(20)11-5-3-2-4-10(11)14(19)18-13-8-9(16)6-7-12(13)17/h2-8H,1H3,(H,18,19)
InChIKeyRETILAPUKRRBGU-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
methyl 2-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 55434529
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
N-(2,5-dichlorophenyl)-2,4,5-trimethoxybenzamide
CID 1020033
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate (CID 108785394) is methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate?
The InChIKey is RETILAPUKRRBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-21-15(20)11-5-3-2-4-10(11)14(19)18-13-8-9(16)6-7-12(13)17/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate?
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate has a molecular weight of 324.16 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 108785394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).