3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide

C15H12BrFN2O2 — CID 102851126

IUPAC3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C15H12BrFN2O2/c16-8-9-1-3-10(4-2-9)15(21)19-13-7-11(14(18)20)5-6-12(13)17/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyABMIQKVHQYFFNL-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.07
Rot. Bonds4

About 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide

3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide (PubChem CID 102851126) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
PubChem CID102851126
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C15H12BrFN2O2/c16-8-9-1-3-10(4-2-9)15(21)19-13-7-11(14(18)20)5-6-12(13)17/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyABMIQKVHQYFFNL-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
CID 43333434
3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide?
The IUPAC name of 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide (CID 102851126) is 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide?
The canonical SMILES for 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide is NC(=O)c1ccc(F)c(NC(=O)c2ccc(CBr)cc2)c1.
What is the InChIKey of 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide?
The InChIKey is ABMIQKVHQYFFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-8-9-1-3-10(4-2-9)15(21)19-13-7-11(14(18)20)5-6-12(13)17/h1-7H,8H2,(H2,18,20)(H,19,21).
What are the key properties of 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide?
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide has a molecular weight of 351.18 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide is sourced from PubChem (CID 102851126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).