N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide

C13H16BrF2NO2 — CID 113492971

IUPACN-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
SMILESCC(C)C(Br)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H16BrF2NO2/c1-8(2)10(14)7-17-12(18)9-5-3-4-6-11(9)19-13(15)16/h3-6,8,10,13H,7H2,1-2H3,(H,17,18)
InChIKeyYZVUDGGWPDDVHT-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.44
Rot. Bonds6

About N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide

N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide (PubChem CID 113492971) has the molecular formula C13H16BrF2NO2 and a molecular weight of 336.18 g/mol. Its IUPAC name is N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
PubChem CID113492971
Molecular FormulaC13H16BrF2NO2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC NameN-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
SMILESCC(C)C(Br)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H16BrF2NO2/c1-8(2)10(14)7-17-12(18)9-5-3-4-6-11(9)19-13(15)16/h3-6,8,10,13H,7H2,1-2H3,(H,17,18)
InChIKeyYZVUDGGWPDDVHT-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
3-[[2-(difluoromethoxy)benzoyl]amino]-2-methoxypropanoic acid
CID 106107907
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
N-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide (CID 113492971) is N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide is CC(C)C(Br)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide?
The InChIKey is YZVUDGGWPDDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO2/c1-8(2)10(14)7-17-12(18)9-5-3-4-6-11(9)19-13(15)16/h3-6,8,10,13H,7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide?
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide has a molecular weight of 336.18 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 113492971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).