N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide

C11H11BrClF2NO — CID 102853254

IUPACN-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
SMILESO=C(CCCCCl)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrClF2NO/c12-7-5-10(9(15)6-8(7)14)16-11(17)3-1-2-4-13/h5-6H,1-4H2,(H,16,17)
InChIKeyIMCYSBPQTKDWPU-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.07
Rot. Bonds5

About N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide

N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide (PubChem CID 102853254) has the molecular formula C11H11BrClF2NO and a molecular weight of 326.57 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
PubChem CID102853254
Molecular FormulaC11H11BrClF2NO
Molecular Weight326.57 g/mol
Exact Mass324.97
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
SMILESO=C(CCCCCl)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrClF2NO/c12-7-5-10(9(15)6-8(7)14)16-11(17)3-1-2-4-13/h5-6H,1-4H2,(H,16,17)
InChIKeyIMCYSBPQTKDWPU-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.07
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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
5-(4-chlorobutanoylamino)-2,4-difluorobenzoic acid
CID 55203672
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667
4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
CID 55203675
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-[(4-bromo-2,5-difluorophenyl)carbamoyl]-2-chloroacetamide
CID 107614820
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide (CID 102853254) is N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide is O=C(CCCCCl)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide?
The InChIKey is IMCYSBPQTKDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF2NO/c12-7-5-10(9(15)6-8(7)14)16-11(17)3-1-2-4-13/h5-6H,1-4H2,(H,16,17).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide?
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide has a molecular weight of 326.57 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide is sourced from PubChem (CID 102853254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).