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

C15H12BrF2NO — CID 114310286

IUPACN-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
SMILESO=C(Nc1ccc(CCBr)cc1)c1cccc(F)c1F
InChIInChI=1S/C15H12BrF2NO/c16-9-8-10-4-6-11(7-5-10)19-15(20)12-2-1-3-13(17)14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyAMSURJNJBRMKGJ-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.15
Rot. Bonds4

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

N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide (PubChem CID 114310286) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
PubChem CID114310286
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
SMILESO=C(Nc1ccc(CCBr)cc1)c1cccc(F)c1F
InChIInChI=1S/C15H12BrF2NO/c16-9-8-10-4-6-11(7-5-10)19-15(20)12-2-1-3-13(17)14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyAMSURJNJBRMKGJ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-dihydroxybenzamide
CID 114345303
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
3-chloro-2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 81002508
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide (CID 114310286) is N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide is O=C(Nc1ccc(CCBr)cc1)c1cccc(F)c1F.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide?
The InChIKey is AMSURJNJBRMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-9-8-10-4-6-11(7-5-10)19-15(20)12-2-1-3-13(17)14(12)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide?
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide has a molecular weight of 340.17 g/mol, XLogP of 4.15, 4 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-difluorobenzamide is sourced from PubChem (CID 114310286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).