N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide

C14H19FN2O2 — CID 112995346

IUPACN-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCCCCN(C)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-3-4-9-17(2)13(18)10-16-14(19)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyBKKHIIIXLKFYHV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.81
Rot. Bonds6

About N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 112995346) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID112995346
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCCCCN(C)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-3-4-9-17(2)13(18)10-16-14(19)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyBKKHIIIXLKFYHV-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107201944
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
N-[2-[butyl(methyl)amino]-2-oxoethyl]benzamide;methylboronic acid
CID 143334744
2-fluoro-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 64510490
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide (CID 112995346) is N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide is CCCCN(C)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is BKKHIIIXLKFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-4-9-17(2)13(18)10-16-14(19)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 112995346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).