3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide

C14H10BrClFNO — CID 107956658

IUPAC3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccccc1CCl)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrClFNO/c15-11-6-3-5-10(13(11)17)14(19)18-12-7-2-1-4-9(12)8-16/h1-7H,8H2,(H,18,19)
InChIKeyISUWECVYPYZMSN-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.58
Rot. Bonds3

About 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide

3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide (PubChem CID 107956658) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
PubChem CID107956658
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccccc1CCl)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrClFNO/c15-11-6-3-5-10(13(11)17)14(19)18-12-7-2-1-4-9(12)8-16/h1-7H,8H2,(H,18,19)
InChIKeyISUWECVYPYZMSN-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.58
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

2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106544738
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298256
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide (CID 107956658) is 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide is O=C(Nc1ccccc1CCl)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is ISUWECVYPYZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-11-6-3-5-10(13(11)17)14(19)18-12-7-2-1-4-9(12)8-16/h1-7H,8H2,(H,18,19).
What are the key properties of 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide?
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 107956658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).