N-(4-bromobutyl)-2-(difluoromethoxy)benzamide

C12H14BrF2NO2 — CID 106845934

IUPACN-(4-bromobutyl)-2-(difluoromethoxy)benzamide
SMILESO=C(NCCCCBr)c1ccccc1OC(F)F
InChIInChI=1S/C12H14BrF2NO2/c13-7-3-4-8-16-11(17)9-5-1-2-6-10(9)18-12(14)15/h1-2,5-6,12H,3-4,7-8H2,(H,16,17)
InChIKeyYGTKDQSQTAZVHF-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.19
Rot. Bonds7

About N-(4-bromobutyl)-2-(difluoromethoxy)benzamide

N-(4-bromobutyl)-2-(difluoromethoxy)benzamide (PubChem CID 106845934) has the molecular formula C12H14BrF2NO2 and a molecular weight of 322.15 g/mol. Its IUPAC name is N-(4-bromobutyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-2-(difluoromethoxy)benzamide
PubChem CID106845934
Molecular FormulaC12H14BrF2NO2
Molecular Weight322.15 g/mol
Exact Mass321.02
IUPAC NameN-(4-bromobutyl)-2-(difluoromethoxy)benzamide
SMILESO=C(NCCCCBr)c1ccccc1OC(F)F
InChIInChI=1S/C12H14BrF2NO2/c13-7-3-4-8-16-11(17)9-5-1-2-6-10(9)18-12(14)15/h1-2,5-6,12H,3-4,7-8H2,(H,16,17)
InChIKeyYGTKDQSQTAZVHF-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(difluoromethoxy)benzamide
CID 19297512
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-bromobutyl)-2-(difluoromethoxy)benzamide (CID 106845934) is N-(4-bromobutyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-bromobutyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-bromobutyl)-2-(difluoromethoxy)benzamide is O=C(NCCCCBr)c1ccccc1OC(F)F.
What is the InChIKey of N-(4-bromobutyl)-2-(difluoromethoxy)benzamide?
The InChIKey is YGTKDQSQTAZVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO2/c13-7-3-4-8-16-11(17)9-5-1-2-6-10(9)18-12(14)15/h1-2,5-6,12H,3-4,7-8H2,(H,16,17).
What are the key properties of N-(4-bromobutyl)-2-(difluoromethoxy)benzamide?
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide has a molecular weight of 322.15 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 106845934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).