methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate

C15H11BrFNO3 — CID 103706368

IUPACmethyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H11BrFNO3/c1-21-15(20)10-3-2-4-11(7-10)18-14(19)9-5-6-13(17)12(16)8-9/h2-8H,1H3,(H,18,19)
InChIKeyDQBAEOFISKFPPO-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.63
Rot. Bonds3

About methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate

methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate (PubChem CID 103706368) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
PubChem CID103706368
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Namemethyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H11BrFNO3/c1-21-15(20)10-3-2-4-11(7-10)18-14(19)9-5-6-13(17)12(16)8-9/h2-8H,1H3,(H,18,19)
InChIKeyDQBAEOFISKFPPO-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
3-bromo-N-(3,5-dimethoxy-4-methylphenyl)-4-fluorobenzamide
CID 167951842
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate (CID 103706368) is methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate?
The InChIKey is DQBAEOFISKFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c1-21-15(20)10-3-2-4-11(7-10)18-14(19)9-5-6-13(17)12(16)8-9/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate?
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate has a molecular weight of 352.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate is sourced from PubChem (CID 103706368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).