N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide

C15H12BrF2NO — CID 114310892

IUPACN-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ccc(CBr)cc1
InChIInChI=1S/C15H12BrF2NO/c16-9-10-1-4-12(5-2-10)19-15(20)8-11-3-6-13(17)14(18)7-11/h1-7H,8-9H2,(H,19,20)
InChIKeyVQGBBFFRFHXGTN-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.04
Rot. Bonds4

About N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide

N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 114310892) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID114310892
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ccc(CBr)cc1
InChIInChI=1S/C15H12BrF2NO/c16-9-10-1-4-12(5-2-10)19-15(20)8-11-3-6-13(17)14(18)7-11/h1-7H,8-9H2,(H,19,20)
InChIKeyVQGBBFFRFHXGTN-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(5-bromonaphthalen-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 146022041
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (CID 114310892) is N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1ccc(CBr)cc1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is VQGBBFFRFHXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-9-10-1-4-12(5-2-10)19-15(20)8-11-3-6-13(17)14(18)7-11/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 340.17 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114310892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).