N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide

C15H21FN2O2 — CID 17393016

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CC(C)(C)C
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)9-14(20)18(4)10-13(19)17-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,19)
InChIKeyKYDHXXLNACCPSS-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide (PubChem CID 17393016) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
PubChem CID17393016
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CC(C)(C)C
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)9-14(20)18(4)10-13(19)17-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,19)
InChIKeyKYDHXXLNACCPSS-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8846623

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide (CID 17393016) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
The InChIKey is KYDHXXLNACCPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)9-14(20)18(4)10-13(19)17-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide has a molecular weight of 280.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 17393016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).