2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide

C15H20F2N2O2 — CID 113166842

IUPAC2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C15H20F2N2O2/c1-3-4-5-8-19(11(2)20)10-15(21)18-12-6-7-13(16)14(17)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyCVVCYSPWTOBXGW-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.94
Rot. Bonds7

About 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide

2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 113166842) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID113166842
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C15H20F2N2O2/c1-3-4-5-8-19(11(2)20)10-15(21)18-12-6-7-13(16)14(17)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyCVVCYSPWTOBXGW-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
2-[acetyl(butyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 113158787
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
CID 113158789
N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
N-(3,4-difluorophenyl)propanamide
CID 4285365
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
2-[acetyl(2-methoxyethyl)amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113159914
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide (CID 113166842) is 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide is CCCCCN(CC(=O)Nc1ccc(F)c(F)c1)C(C)=O.
What is the InChIKey of 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is CVVCYSPWTOBXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-4-5-8-19(11(2)20)10-15(21)18-12-6-7-13(16)14(17)9-12/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,21).
What are the key properties of 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide?
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 298.33 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113166842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).