N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide

C14H10BrClFNO — CID 114307297

IUPACN-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClFNO/c15-8-9-3-1-4-10(7-9)18-14(19)13-11(16)5-2-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyBHJVVXUGXCETRP-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.63
Rot. Bonds3

About N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide

N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide (PubChem CID 114307297) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
PubChem CID114307297
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1cccc(CBr)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClFNO/c15-8-9-3-1-4-10(7-9)18-14(19)13-11(16)5-2-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyBHJVVXUGXCETRP-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
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-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114307357
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
N-[4-(bromomethyl)phenyl]-2,6-difluorobenzamide
CID 114310878
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
N-[3-(bromomethyl)phenyl]-3-chloro-4-hydroxybenzamide
CID 114307203

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide (CID 114307297) is N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide is O=C(Nc1cccc(CBr)c1)c1c(F)cccc1Cl.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide?
The InChIKey is BHJVVXUGXCETRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c15-8-9-3-1-4-10(7-9)18-14(19)13-11(16)5-2-6-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide?
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 114307297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).