N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

C20H30F2N2O2 — CID 95597079

IUPACN-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C
InChIInChI=1S/C20H30F2N2O2/c1-6-14(7-2)12-24(8-3)20(26)18(13(4)5)23-19(25)17-15(21)10-9-11-16(17)22/h9-11,13-14,18H,6-8,12H2,1-5H3,(H,23,25)/t18-/m1/s1
InChIKeyWHWFECUTPFRZSF-GOSISDBHSA-N
MW368.47 g/mol
LogP4.00
Rot. Bonds9

About N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (PubChem CID 95597079) has the molecular formula C20H30F2N2O2 and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
PubChem CID95597079
Molecular FormulaC20H30F2N2O2
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC NameN-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C
InChIInChI=1S/C20H30F2N2O2/c1-6-14(7-2)12-24(8-3)20(26)18(13(4)5)23-19(25)17-15(21)10-9-11-16(17)22/h9-11,13-14,18H,6-8,12H2,1-5H3,(H,23,25)/t18-/m1/s1
InChIKeyWHWFECUTPFRZSF-GOSISDBHSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 42910277
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 78796190
N-[1-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55344394
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride
CID 119508620
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 30600780
2,6-difluoro-N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 97012243
N-[1-[1-adamantylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55437595
N-[(2R)-1-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 94145988
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
N-[1-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 112817434
N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 24537925

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide (CID 95597079) is N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is CCC(CC)CN(CC)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C.
What is the InChIKey of N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
The InChIKey is WHWFECUTPFRZSF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30F2N2O2/c1-6-14(7-2)12-24(8-3)20(26)18(13(4)5)23-19(25)17-15(21)10-9-11-16(17)22/h9-11,13-14,18H,6-8,12H2,1-5H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide?
N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide has a molecular weight of 368.47 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 95597079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).