2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide

C13H17FN2O2 — CID 113158063

IUPAC2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(F)c1)C(C)=O
InChIInChI=1S/C13H17FN2O2/c1-3-7-16(10(2)17)9-13(18)15-12-6-4-5-11(14)8-12/h4-6,8H,3,7,9H2,1-2H3,(H,15,18)
InChIKeyKASQKKLOKSRSJX-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.02
Rot. Bonds5

About 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide

2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 113158063) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID113158063
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(F)c1)C(C)=O
InChIInChI=1S/C13H17FN2O2/c1-3-7-16(10(2)17)9-13(18)15-12-6-4-5-11(14)8-12/h4-6,8H,3,7,9H2,1-2H3,(H,15,18)
InChIKeyKASQKKLOKSRSJX-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
2-[acetyl(propyl)amino]-N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676505
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide (CID 113158063) is 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide is CCCN(CC(=O)Nc1cccc(F)c1)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is KASQKKLOKSRSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-3-7-16(10(2)17)9-13(18)15-12-6-4-5-11(14)8-12/h4-6,8H,3,7,9H2,1-2H3,(H,15,18).
What are the key properties of 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide?
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113158063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).