N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide

C15H23F2N3O — CID 61479910

IUPACN-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide
SMILESCC(C)C(CN(C)C)NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H23F2N3O/c1-10(2)13(9-20(3)4)18-8-14(21)19-15-11(16)6-5-7-12(15)17/h5-7,10,13,18H,8-9H2,1-4H3,(H,19,21)
InChIKeyIXVWNDZFAGRCJU-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.08
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide

N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide (PubChem CID 61479910) has the molecular formula C15H23F2N3O and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide
PubChem CID61479910
Molecular FormulaC15H23F2N3O
Molecular Weight299.36 g/mol
Exact Mass299.18
IUPAC NameN-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide
SMILESCC(C)C(CN(C)C)NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H23F2N3O/c1-10(2)13(9-20(3)4)18-8-14(21)19-15-11(16)6-5-7-12(15)17/h5-7,10,13,18H,8-9H2,1-4H3,(H,19,21)
InChIKeyIXVWNDZFAGRCJU-UHFFFAOYSA-N
XLogP2.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
CID 60688234
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-methylacetamide
CID 61480071
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-fluorobenzoic acid
CID 79522755
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(2,6-difluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 28879085
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108
N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
CID 39395142
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide (CID 61479910) is N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide is CC(C)C(CN(C)C)NCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide?
The InChIKey is IXVWNDZFAGRCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-10(2)13(9-20(3)4)18-8-14(21)19-15-11(16)6-5-7-12(15)17/h5-7,10,13,18H,8-9H2,1-4H3,(H,19,21).
What are the key properties of N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide?
N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 61479910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).