N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide

C12H14BrClFNO — CID 107591745

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCCCCl
InChIInChI=1S/C12H14BrClFNO/c1-8-6-10(15)9(13)7-11(8)16-12(17)4-2-3-5-14/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyOZZMGFLBIQZGQC-UHFFFAOYSA-N
MW322.61 g/mol
LogP4.24
Rot. Bonds5

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide (PubChem CID 107591745) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
PubChem CID107591745
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
SMILESCc1cc(F)c(Br)cc1NC(=O)CCCCCl
InChIInChI=1S/C12H14BrClFNO/c1-8-6-10(15)9(13)7-11(8)16-12(17)4-2-3-5-14/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyOZZMGFLBIQZGQC-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 54.24
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

N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]pentanoic acid
CID 107593189
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide (CID 107591745) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide is Cc1cc(F)c(Br)cc1NC(=O)CCCCCl.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide?
The InChIKey is OZZMGFLBIQZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c1-8-6-10(15)9(13)7-11(8)16-12(17)4-2-3-5-14/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide has a molecular weight of 322.61 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide is sourced from PubChem (CID 107591745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).