2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide

C16H23F2NO2 — CID 70119044

IUPAC2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide
SMILESCCCCCOCC(C)(C)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO2/c1-4-5-6-9-21-11-16(2,3)19-15(20)13-8-7-12(17)10-14(13)18/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyFSBCOJBLWOUUGE-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.68
Rot. Bonds8

About 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide

2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide (PubChem CID 70119044) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide
PubChem CID70119044
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide
SMILESCCCCCOCC(C)(C)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO2/c1-4-5-6-9-21-11-16(2,3)19-15(20)13-8-7-12(17)10-14(13)18/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyFSBCOJBLWOUUGE-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
icosyl 2,4-difluorobenzoate
CID 91723271
2-(2,4-difluorophenyl)-3-pentoxypropane-1,2-diol
CID 70193274
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
1-(2,4-difluorophenyl)octane-1,3-dione
CID 43321124
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
CID 54936394
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide (CID 70119044) is 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide is CCCCCOCC(C)(C)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide?
The InChIKey is FSBCOJBLWOUUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-4-5-6-9-21-11-16(2,3)19-15(20)13-8-7-12(17)10-14(13)18/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide?
2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide has a molecular weight of 299.36 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methyl-1-pentoxypropan-2-yl)benzamide is sourced from PubChem (CID 70119044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).