N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide

C11H13FN2O2 — CID 105481705

IUPACN-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)cccc1C(=O)CCN
InChIInChI=1S/C11H13FN2O2/c1-7(15)14-11-8(10(16)5-6-13)3-2-4-9(11)12/h2-4H,5-6,13H2,1H3,(H,14,15)
InChIKeyCVPWTPMEQZAIQN-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.32
Rot. Bonds4

About N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide

N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide (PubChem CID 105481705) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide
PubChem CID105481705
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide
SMILESCC(=O)Nc1c(F)cccc1C(=O)CCN
InChIInChI=1S/C11H13FN2O2/c1-7(15)14-11-8(10(16)5-6-13)3-2-4-9(11)12/h2-4H,5-6,13H2,1H3,(H,14,15)
InChIKeyCVPWTPMEQZAIQN-UHFFFAOYSA-N
XLogP1.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-[2-fluoro-6-[N-methyl-C-(3-methylphenyl)carbonimidoyl]phenyl]acetamide
CID 144593179
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
CID 116581531
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
1-(2-amino-3-fluorophenyl)hexan-1-one
CID 116597714
N'-(2,6-difluorophenyl)acetohydrazide
CID 54757663
N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
4-(2-aminoethyl)-1-(2,3-difluorophenyl)-5,5-dimethylhexan-1-one
CID 116578395

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide?
The IUPAC name of N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide (CID 105481705) is N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide?
The canonical SMILES for N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide is CC(=O)Nc1c(F)cccc1C(=O)CCN.
What is the InChIKey of N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide?
The InChIKey is CVPWTPMEQZAIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7(15)14-11-8(10(16)5-6-13)3-2-4-9(11)12/h2-4H,5-6,13H2,1H3,(H,14,15).
What are the key properties of N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide?
N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoyl)-6-fluorophenyl]acetamide is sourced from PubChem (CID 105481705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).