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

C13H16BrF2NO2 — CID 106130417

IUPACN-(4-bromopentyl)-2-(difluoromethoxy)benzamide
SMILESCC(Br)CCCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H16BrF2NO2/c1-9(14)5-4-8-17-12(18)10-6-2-3-7-11(10)19-13(15)16/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,17,18)
InChIKeyWTLSFWZMQIKEKR-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.58
Rot. Bonds7

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

N-(4-bromopentyl)-2-(difluoromethoxy)benzamide (PubChem CID 106130417) has the molecular formula C13H16BrF2NO2 and a molecular weight of 336.18 g/mol. Its IUPAC name is N-(4-bromopentyl)-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2-(difluoromethoxy)benzamide
PubChem CID106130417
Molecular FormulaC13H16BrF2NO2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC NameN-(4-bromopentyl)-2-(difluoromethoxy)benzamide
SMILESCC(Br)CCCNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H16BrF2NO2/c1-9(14)5-4-8-17-12(18)10-6-2-3-7-11(10)19-13(15)16/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,17,18)
InChIKeyWTLSFWZMQIKEKR-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.58
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-(4-bromobutyl)-2-(difluoromethoxy)benzamide
CID 106845934
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-(3-sulfamoylpropyl)benzamide
CID 61131710
N-(4-amino-2-methylbutyl)-2-(difluoromethoxy)benzamide
CID 66091129
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-bromopentyl)-2-(difluoromethoxy)benzamide (CID 106130417) is N-(4-bromopentyl)-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-bromopentyl)-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-bromopentyl)-2-(difluoromethoxy)benzamide is CC(Br)CCCNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of N-(4-bromopentyl)-2-(difluoromethoxy)benzamide?
The InChIKey is WTLSFWZMQIKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO2/c1-9(14)5-4-8-17-12(18)10-6-2-3-7-11(10)19-13(15)16/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,17,18).
What are the key properties of N-(4-bromopentyl)-2-(difluoromethoxy)benzamide?
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide has a molecular weight of 336.18 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 106130417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).