N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide

C15H22F2N2O — CID 60688234

IUPACN-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
SMILESCCCCCC(C)NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H22F2N2O/c1-3-4-5-7-11(2)18-10-14(20)19-15-12(16)8-6-9-13(15)17/h6,8-9,11,18H,3-5,7,10H2,1-2H3,(H,19,20)
InChIKeyFBPPXZDYTYJMAD-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.46
Rot. Bonds8

About N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide

N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide (PubChem CID 60688234) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
PubChem CID60688234
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
SMILESCCCCCC(C)NCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H22F2N2O/c1-3-4-5-7-11(2)18-10-14(20)19-15-12(16)8-6-9-13(15)17/h6,8-9,11,18H,3-5,7,10H2,1-2H3,(H,19,20)
InChIKeyFBPPXZDYTYJMAD-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
CID 60689776
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
N-(2,6-difluorophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetamide
CID 61479910
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
N-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide (CID 60688234) is N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide is CCCCCC(C)NCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide?
The InChIKey is FBPPXZDYTYJMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-4-5-7-11(2)18-10-14(20)19-15-12(16)8-6-9-13(15)17/h6,8-9,11,18H,3-5,7,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide?
N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide has a molecular weight of 284.35 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide is sourced from PubChem (CID 60688234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).