methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate

C15H10Cl2FNO3 — CID 38236031

IUPACmethyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2FNO3/c1-22-15(21)11-7-9(3-5-12(11)16)19-14(20)10-4-2-8(18)6-13(10)17/h2-7H,1H3,(H,19,20)
InChIKeyNUBIVSOCVMZYRD-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.17
Rot. Bonds3

About methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate

methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate (PubChem CID 38236031) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
PubChem CID38236031
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Namemethyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)ccc1Cl
InChIInChI=1S/C15H10Cl2FNO3/c1-22-15(21)11-7-9(3-5-12(11)16)19-14(20)10-4-2-8(18)6-13(10)17/h2-7H,1H3,(H,19,20)
InChIKeyNUBIVSOCVMZYRD-UHFFFAOYSA-N
XLogP4.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
CID 34164218
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
2-chloro-4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46569659
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate (CID 38236031) is methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2ccc(F)cc2Cl)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The InChIKey is NUBIVSOCVMZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c1-22-15(21)11-7-9(3-5-12(11)16)19-14(20)10-4-2-8(18)6-13(10)17/h2-7H,1H3,(H,19,20).
What are the key properties of methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate has a molecular weight of 342.15 g/mol, XLogP of 4.17, 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-chloro-4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 38236031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).