methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate

C15H11ClINO3 — CID 1312112

IUPACmethyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl
InChIInChI=1S/C15H11ClINO3/c1-21-15(20)11-8-9(6-7-12(11)16)18-14(19)10-4-2-3-5-13(10)17/h2-8H,1H3,(H,18,19)
InChIKeyCEEYIULDMQDYDV-UHFFFAOYSA-N
MW415.61 g/mol
LogP3.98
Rot. Bonds3

About methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate

methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate (PubChem CID 1312112) has the molecular formula C15H11ClINO3 and a molecular weight of 415.61 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
PubChem CID1312112
Molecular FormulaC15H11ClINO3
Molecular Weight415.61 g/mol
Exact Mass414.95
IUPAC Namemethyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl
InChIInChI=1S/C15H11ClINO3/c1-21-15(20)11-8-9(6-7-12(11)16)18-14(19)10-4-2-3-5-13(10)17/h2-8H,1H3,(H,18,19)
InChIKeyCEEYIULDMQDYDV-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
CID 34164218
N-(3-benzamido-4-chlorophenyl)-2-iodobenzamide
CID 1104044
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
methyl 2-chloro-4-[(2-methylbenzoyl)amino]benzoate
CID 142567433
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 3326698
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate (CID 1312112) is methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2ccccc2I)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate?
The InChIKey is CEEYIULDMQDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINO3/c1-21-15(20)11-8-9(6-7-12(11)16)18-14(19)10-4-2-3-5-13(10)17/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate?
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate has a molecular weight of 415.61 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate is sourced from PubChem (CID 1312112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).