N-(2-amino-2-oxoethyl)-4-fluorobutanamide

C6H11FN2O2 — CID 57129132

IUPACN-(2-amino-2-oxoethyl)-4-fluorobutanamide
SMILESNC(=O)CNC(=O)CCCF
InChIInChI=1S/C6H11FN2O2/c7-3-1-2-6(11)9-4-5(8)10/h1-4H2,(H2,8,10)(H,9,11)
InChIKeyPONZETHMMCBAMS-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.66
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-fluorobutanamide

N-(2-amino-2-oxoethyl)-4-fluorobutanamide (PubChem CID 57129132) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-fluorobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-fluorobutanamide
PubChem CID57129132
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC NameN-(2-amino-2-oxoethyl)-4-fluorobutanamide
SMILESNC(=O)CNC(=O)CCCF
InChIInChI=1S/C6H11FN2O2/c7-3-1-2-6(11)9-4-5(8)10/h1-4H2,(H2,8,10)(H,9,11)
InChIKeyPONZETHMMCBAMS-UHFFFAOYSA-N
XLogP-0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
CID 60668278
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553
N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
2-(7-aminoheptanoylamino)acetic acid
CID 18934956
ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
CID 86108729

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-fluorobutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-fluorobutanamide (CID 57129132) is N-(2-amino-2-oxoethyl)-4-fluorobutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-fluorobutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-fluorobutanamide is NC(=O)CNC(=O)CCCF.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-fluorobutanamide?
The InChIKey is PONZETHMMCBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-3-1-2-6(11)9-4-5(8)10/h1-4H2,(H2,8,10)(H,9,11).
What are the key properties of N-(2-amino-2-oxoethyl)-4-fluorobutanamide?
N-(2-amino-2-oxoethyl)-4-fluorobutanamide has a molecular weight of 162.16 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-fluorobutanamide is sourced from PubChem (CID 57129132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).