N-(4-bromo-3-fluorophenyl)-5-chloropentanamide

C11H12BrClFNO — CID 65436710

IUPACN-(4-bromo-3-fluorophenyl)-5-chloropentanamide
SMILESO=C(CCCCCl)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrClFNO/c12-9-5-4-8(7-10(9)14)15-11(16)3-1-2-6-13/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyCHAAYYIQTTVUND-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.94
Rot. Bonds5

About N-(4-bromo-3-fluorophenyl)-5-chloropentanamide

N-(4-bromo-3-fluorophenyl)-5-chloropentanamide (PubChem CID 65436710) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-5-chloropentanamide
PubChem CID65436710
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC NameN-(4-bromo-3-fluorophenyl)-5-chloropentanamide
SMILESO=C(CCCCCl)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C11H12BrClFNO/c12-9-5-4-8(7-10(9)14)15-11(16)3-1-2-6-13/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyCHAAYYIQTTVUND-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-(4-bromo-3-fluorophenyl)pent-4-enamide
CID 65429936
6-[(4-bromo-3-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 65435210
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-(3-bromo-4-nitrophenyl)-5-chloropentanamide
CID 82864603
5-chloro-N-(3,5-difluorophenyl)pentanamide
CID 28733613
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-5-chloropentanamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-5-chloropentanamide (CID 65436710) is N-(4-bromo-3-fluorophenyl)-5-chloropentanamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-5-chloropentanamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-5-chloropentanamide is O=C(CCCCCl)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-5-chloropentanamide?
The InChIKey is CHAAYYIQTTVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c12-9-5-4-8(7-10(9)14)15-11(16)3-1-2-6-13/h4-5,7H,1-3,6H2,(H,15,16).
What are the key properties of N-(4-bromo-3-fluorophenyl)-5-chloropentanamide?
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide has a molecular weight of 308.58 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-5-chloropentanamide is sourced from PubChem (CID 65436710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).