methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate

C15H12Cl2N2O3 — CID 761588

IUPACmethyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
InChIKeySQYUJKVKVFILNB-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.61
Rot. Bonds3

About methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate

methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate (PubChem CID 761588) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
PubChem CID761588
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Namemethyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N
InChIInChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
InChIKeySQYUJKVKVFILNB-UHFFFAOYSA-N
XLogP3.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate (CID 761588) is methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N.
What is the InChIKey of methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate?
The InChIKey is SQYUJKVKVFILNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate?
methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate has a molecular weight of 339.18 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 761588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).