methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate

C15H10BrF2NO3 — CID 46539881

IUPACmethyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(Br)c2)c(F)cc1F
InChIInChI=1S/C15H10BrF2NO3/c1-22-15(21)10-6-13(12(18)7-11(10)17)19-14(20)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,19,20)
InChIKeyRNWMDKIJGYAUPN-UHFFFAOYSA-N
MW370.15 g/mol
LogP3.77
Rot. Bonds3

About methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate

methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate (PubChem CID 46539881) has the molecular formula C15H10BrF2NO3 and a molecular weight of 370.15 g/mol. Its IUPAC name is methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
PubChem CID46539881
Molecular FormulaC15H10BrF2NO3
Molecular Weight370.15 g/mol
Exact Mass368.98
IUPAC Namemethyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(Br)c2)c(F)cc1F
InChIInChI=1S/C15H10BrF2NO3/c1-22-15(21)10-6-13(12(18)7-11(10)17)19-14(20)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,19,20)
InChIKeyRNWMDKIJGYAUPN-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
methyl 5-[(3-bromophenyl)methylamino]-2,4-difluorobenzoate
CID 43731407
methyl 2,4-difluoro-5-[[3-(oxolane-2-carbonylamino)benzoyl]amino]benzoate
CID 42944601
methyl 5-[(2,4-difluoro-5-methoxycarbonylphenyl)carbamoylamino]-2,4-difluorobenzoate
CID 139215222
3-[(3-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 60748935
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
CID 58337626
methyl 2,4-difluoro-5-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoate
CID 78869714
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
3-bromo-N-[(4-bromo-2-fluorophenyl)carbamothioyl]benzamide
CID 22779598

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate (CID 46539881) is methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate is COC(=O)c1cc(NC(=O)c2cccc(Br)c2)c(F)cc1F.
What is the InChIKey of methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate?
The InChIKey is RNWMDKIJGYAUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO3/c1-22-15(21)10-6-13(12(18)7-11(10)17)19-14(20)8-3-2-4-9(16)5-8/h2-7H,1H3,(H,19,20).
What are the key properties of methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate?
methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate has a molecular weight of 370.15 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-bromobenzoyl)amino]-2,4-difluorobenzoate is sourced from PubChem (CID 46539881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).