N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide

C9H8BrClFNO — CID 118212260

IUPACN-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(Br)cc1Cl
InChIInChI=1S/C9H8BrClFNO/c1-5(14)13-4-6-2-9(12)7(10)3-8(6)11/h2-3H,4H2,1H3,(H,13,14)
InChIKeyKWSLJCJPGHBFKV-UHFFFAOYSA-N
MW280.52 g/mol
LogP2.88
Rot. Bonds2

About N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide

N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide (PubChem CID 118212260) has the molecular formula C9H8BrClFNO and a molecular weight of 280.52 g/mol. Its IUPAC name is N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide
PubChem CID118212260
Molecular FormulaC9H8BrClFNO
Molecular Weight280.52 g/mol
Exact Mass278.95
IUPAC NameN-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(F)c(Br)cc1Cl
InChIInChI=1S/C9H8BrClFNO/c1-5(14)13-4-6-2-9(12)7(10)3-8(6)11/h2-3H,4H2,1H3,(H,13,14)
InChIKeyKWSLJCJPGHBFKV-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[(2-chloro-6-fluorophenyl)methyl]acetamide
CID 2804271
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
N-[2-[(4-bromo-2-chlorophenyl)methylcarbamoylamino]ethyl]acetamide
CID 47447383
3-acetamido-N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 51094514
3-[(4-bromo-2-chlorophenyl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 51126771
N-[(4-bromo-2-chlorophenyl)methyl]acetamide
CID 47444975
N-(4-bromo-2-fluorobenzyl)acetamide
CID 58764031
[(4-Bromo-2-chlorophenyl)methyl](methyl)amine hydrochloride
CID 155822696
2-[acetyl(methyl)amino]-N-[(4-bromo-2-chlorophenyl)methyl]acetamide
CID 47445030
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]propanamide
CID 2780050
4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide
CID 59725695

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide (CID 118212260) is N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide is CC(=O)NCc1cc(F)c(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide?
The InChIKey is KWSLJCJPGHBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO/c1-5(14)13-4-6-2-9(12)7(10)3-8(6)11/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide?
N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide has a molecular weight of 280.52 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chloro-5-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 118212260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).