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

C15H11ClFNO3 — CID 6469488

IUPACmethyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H11ClFNO3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-7-4-10(17)8-13(12)16/h2-8H,1H3,(H,18,19)
InChIKeyFCUHGVYTVWNRON-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.52
Rot. Bonds3

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

methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate (PubChem CID 6469488) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
PubChem CID6469488
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Namemethyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H11ClFNO3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-7-4-10(17)8-13(12)16/h2-8H,1H3,(H,18,19)
InChIKeyFCUHGVYTVWNRON-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 17418027
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate (CID 6469488) is methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
The InChIKey is FCUHGVYTVWNRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-21-15(20)9-2-5-11(6-3-9)18-14(19)12-7-4-10(17)8-13(12)16/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate?
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate has a molecular weight of 307.71 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 6469488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).