2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide

C14H10BrClFNO — CID 113270977

IUPAC2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrClFNO/c15-13-5-4-10(17)7-12(13)14(19)18-11-3-1-2-9(6-11)8-16/h1-7H,8H2,(H,18,19)
InChIKeyIMBVPTCLRLKVEN-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.58
Rot. Bonds3

About 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide

2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide (PubChem CID 113270977) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
PubChem CID113270977
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
SMILESO=C(Nc1cccc(CCl)c1)c1cc(F)ccc1Br
InChIInChI=1S/C14H10BrClFNO/c15-13-5-4-10(17)7-12(13)14(19)18-11-3-1-2-9(6-11)8-16/h1-7H,8H2,(H,18,19)
InChIKeyIMBVPTCLRLKVEN-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

4-bromo-N-[3-(chloromethyl)phenyl]-2,6-difluorobenzamide
CID 114293310
4-bromo-N-[3-(chloromethyl)phenyl]-3-hydroxybenzamide
CID 114103935
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
N-[3-(chloromethyl)phenyl]-3,4-difluorobenzamide
CID 114293187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide (CID 113270977) is 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide is O=C(Nc1cccc(CCl)c1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide?
The InChIKey is IMBVPTCLRLKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-13-5-4-10(17)7-12(13)14(19)18-11-3-1-2-9(6-11)8-16/h1-7H,8H2,(H,18,19).
What are the key properties of 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide?
2-bromo-N-[3-(chloromethyl)phenyl]-5-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 2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide is sourced from PubChem (CID 113270977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).