4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide

C10H10BrClFNO — CID 118290494

IUPAC4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)c(Br)cc1Cl
InChIInChI=1S/C10H10BrClFNO/c1-5(2)14-10(15)6-3-9(13)7(11)4-8(6)12/h3-5H,1-2H3,(H,14,15)
InChIKeyQVISPJSUXAZNDD-UHFFFAOYSA-N
MW294.55 g/mol
LogP3.38
Rot. Bonds2

About 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide

4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide (PubChem CID 118290494) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide
PubChem CID118290494
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(F)c(Br)cc1Cl
InChIInChI=1S/C10H10BrClFNO/c1-5(2)14-10(15)6-3-9(13)7(11)4-8(6)12/h3-5H,1-2H3,(H,14,15)
InChIKeyQVISPJSUXAZNDD-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide (CID 118290494) is 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(F)c(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide?
The InChIKey is QVISPJSUXAZNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-5(2)14-10(15)6-3-9(13)7(11)4-8(6)12/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide?
4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide has a molecular weight of 294.55 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-5-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 118290494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).