N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide

C15H22F2N2O — CID 65042721

IUPACN-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-5-15(6-2,7-3)19-14(20)10-8-11(16)13(18-4)12(17)9-10/h8-9,18H,5-7H2,1-4H3,(H,19,20)
InChIKeyVUSQSODXRHQLOE-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.71
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide

N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 65042721) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID65042721
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-5-15(6-2,7-3)19-14(20)10-8-11(16)13(18-4)12(17)9-10/h8-9,18H,5-7H2,1-4H3,(H,19,20)
InChIKeyVUSQSODXRHQLOE-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
N-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
N-(3-ethylpentan-3-yl)-4-(methylamino)benzamide
CID 65042626
N-[3-(chloromethyl)pentan-3-yl]-3,5-difluorobenzamide
CID 114304531
N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 104829894
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
2,6-dichloro-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 65038933
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597
3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide (CID 65042721) is N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide is CCC(CC)(CC)NC(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is VUSQSODXRHQLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-5-15(6-2,7-3)19-14(20)10-8-11(16)13(18-4)12(17)9-10/h8-9,18H,5-7H2,1-4H3,(H,19,20).
What are the key properties of N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide?
N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 284.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 65042721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).