2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide

C14H20F2N2O — CID 65039606

IUPAC2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C14H20F2N2O/c1-4-14(5-2,6-3)18-13(19)9-7-10(15)11(16)8-12(9)17/h7-8H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyYRWYXORLPAXFMK-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.25
Rot. Bonds5

About 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide

2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide (PubChem CID 65039606) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
PubChem CID65039606
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C14H20F2N2O/c1-4-14(5-2,6-3)18-13(19)9-7-10(15)11(16)8-12(9)17/h7-8H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyYRWYXORLPAXFMK-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106180006
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4,5-difluoro-2-nitrobenzamide
CID 107867431
5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
CID 65041076
N-[3-(bromomethyl)pentan-3-yl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 114315321
2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 94334111
4-chloro-2,5-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 82773237
2-amino-4,5-difluoro-N-pent-1-yn-3-ylbenzamide
CID 106223425
2-amino-4,5-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551334
4-chloro-N-[3-(chloromethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 82771535
2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114107072
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide (CID 65039606) is 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide is CCC(CC)(CC)NC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide?
The InChIKey is YRWYXORLPAXFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-14(5-2,6-3)18-13(19)9-7-10(15)11(16)8-12(9)17/h7-8H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide?
2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide has a molecular weight of 270.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylpentan-3-yl)-4,5-difluorobenzamide is sourced from PubChem (CID 65039606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).