N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide

C14H17FN2O3 — CID 9439621

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H17FN2O3/c1-10(18)6-7-14(20)17(2)9-13(19)16-12-5-3-4-11(15)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,16,19)
InChIKeyKMVJHQNCLPYBSE-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide (PubChem CID 9439621) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
PubChem CID9439621
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
SMILESCC(=O)CCC(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H17FN2O3/c1-10(18)6-7-14(20)17(2)9-13(19)16-12-5-3-4-11(15)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,16,19)
InChIKeyKMVJHQNCLPYBSE-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9439766
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8846623
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9150979
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9150717
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-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide (CID 9439621) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide is CC(=O)CCC(=O)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide?
The InChIKey is KMVJHQNCLPYBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-10(18)6-7-14(20)17(2)9-13(19)16-12-5-3-4-11(15)8-12/h3-5,8H,6-7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide has a molecular weight of 280.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide is sourced from PubChem (CID 9439621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).