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

C15H20BrF2NO2 — CID 106288562

IUPACN-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20BrF2NO2/c1-3-10(4-2)13(16)9-19-14(20)11-6-5-7-12(8-11)21-15(17)18/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyQPPOBJLVCDWEHT-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.22
Rot. Bonds8

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

N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide (PubChem CID 106288562) has the molecular formula C15H20BrF2NO2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
PubChem CID106288562
Molecular FormulaC15H20BrF2NO2
Molecular Weight364.23 g/mol
Exact Mass363.06
IUPAC NameN-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20BrF2NO2/c1-3-10(4-2)13(16)9-19-14(20)11-6-5-7-12(8-11)21-15(17)18/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyQPPOBJLVCDWEHT-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.22
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

3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-(2-bromo-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-(4-bromo-2-methylbutyl)-3-(difluoromethoxy)benzamide
CID 114316820
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
CID 78785705

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide (CID 106288562) is N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide is CCC(CC)C(Br)CNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide?
The InChIKey is QPPOBJLVCDWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO2/c1-3-10(4-2)13(16)9-19-14(20)11-6-5-7-12(8-11)21-15(17)18/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide?
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide has a molecular weight of 364.23 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 106288562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).