N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide

C13H15BrClF2NO — CID 106157596

IUPACN-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
SMILESCC(CBr)CCCNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H15BrClF2NO/c1-8(7-14)3-2-4-18-13(19)9-5-12(17)10(15)6-11(9)16/h5-6,8H,2-4,7H2,1H3,(H,18,19)
InChIKeyCMIIHWXYFLGKEW-UHFFFAOYSA-N
MW354.62 g/mol
LogP4.16
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide

N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 106157596) has the molecular formula C13H15BrClF2NO and a molecular weight of 354.62 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
PubChem CID106157596
Molecular FormulaC13H15BrClF2NO
Molecular Weight354.62 g/mol
Exact Mass353.00
IUPAC NameN-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
SMILESCC(CBr)CCCNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H15BrClF2NO/c1-8(7-14)3-2-4-18-13(19)9-5-12(17)10(15)6-11(9)16/h5-6,8H,2-4,7H2,1H3,(H,18,19)
InChIKeyCMIIHWXYFLGKEW-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 54.16
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-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
CID 106157274
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
4-chloro-2,5-difluoro-N-[(E)-pent-3-enyl]benzamide
CID 115868338
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide (CID 106157596) is N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide is CC(CBr)CCCNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is CMIIHWXYFLGKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF2NO/c1-8(7-14)3-2-4-18-13(19)9-5-12(17)10(15)6-11(9)16/h5-6,8H,2-4,7H2,1H3,(H,18,19).
What are the key properties of N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide?
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 354.62 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 106157596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).