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

C16H14BrF2NO — CID 114310266

IUPACN-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ccc(CCBr)cc1
InChIInChI=1S/C16H14BrF2NO/c17-8-7-11-1-4-13(5-2-11)20-16(21)10-12-3-6-14(18)15(19)9-12/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyRMOIVOLQYLJMKK-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.08
Rot. Bonds5

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

N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 114310266) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID114310266
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1ccc(CCBr)cc1
InChIInChI=1S/C16H14BrF2NO/c17-8-7-11-1-4-13(5-2-11)20-16(21)10-12-3-6-14(18)15(19)9-12/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyRMOIVOLQYLJMKK-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.08
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-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
N-[3-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114307288
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
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide (CID 114310266) is N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1ccc(CCBr)cc1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is RMOIVOLQYLJMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-8-7-11-1-4-13(5-2-11)20-16(21)10-12-3-6-14(18)15(19)9-12/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide?
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 354.19 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114310266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).