N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide

C15H21F2NO3 — CID 78785705

IUPACN-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
SMILESCCCCOCCCNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NO3/c1-2-3-9-20-10-5-8-18-14(19)12-6-4-7-13(11-12)21-15(16)17/h4,6-7,11,15H,2-3,5,8-10H2,1H3,(H,18,19)
InChIKeyNQBGRGNOEUFZJC-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.22
Rot. Bonds10

About N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide

N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide (PubChem CID 78785705) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
PubChem CID78785705
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC NameN-(3-butoxypropyl)-3-(difluoromethoxy)benzamide
SMILESCCCCOCCCNC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NO3/c1-2-3-9-20-10-5-8-18-14(19)12-6-4-7-13(11-12)21-15(16)17/h4,6-7,11,15H,2-3,5,8-10H2,1H3,(H,18,19)
InChIKeyNQBGRGNOEUFZJC-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(3-chloro-4-methoxybutyl)-3-(difluoromethoxy)benzamide
CID 106243639
N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
CID 171382844
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
3-butan-2-yloxy-N-[3-[(3-butan-2-yloxybenzoyl)amino]propyl]benzamide
CID 17150561
3-methoxy-N-tridecylbenzamide
CID 139819898
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide (CID 78785705) is N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide is CCCCOCCCNC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide?
The InChIKey is NQBGRGNOEUFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-2-3-9-20-10-5-8-18-14(19)12-6-4-7-13(11-12)21-15(16)17/h4,6-7,11,15H,2-3,5,8-10H2,1H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide?
N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide has a molecular weight of 301.33 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 78785705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).