N-(3-chlorobutyl)-2,5-difluorobenzamide

C11H12ClF2NO — CID 114301989

IUPACN-(3-chlorobutyl)-2,5-difluorobenzamide
SMILESCC(Cl)CCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12ClF2NO/c1-7(12)4-5-15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyQGSUEZLGXYQQMO-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.71
Rot. Bonds4

About N-(3-chlorobutyl)-2,5-difluorobenzamide

N-(3-chlorobutyl)-2,5-difluorobenzamide (PubChem CID 114301989) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is N-(3-chlorobutyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-2,5-difluorobenzamide
PubChem CID114301989
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC NameN-(3-chlorobutyl)-2,5-difluorobenzamide
SMILESCC(Cl)CCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H12ClF2NO/c1-7(12)4-5-15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyQGSUEZLGXYQQMO-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-2,5-difluorobenzamide?
The IUPAC name of N-(3-chlorobutyl)-2,5-difluorobenzamide (CID 114301989) is N-(3-chlorobutyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-chlorobutyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(3-chlorobutyl)-2,5-difluorobenzamide is CC(Cl)CCNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-chlorobutyl)-2,5-difluorobenzamide?
The InChIKey is QGSUEZLGXYQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-7(12)4-5-15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(3-chlorobutyl)-2,5-difluorobenzamide?
N-(3-chlorobutyl)-2,5-difluorobenzamide has a molecular weight of 247.67 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-2,5-difluorobenzamide is sourced from PubChem (CID 114301989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).