N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide

C16H22F2N2O2 — CID 113056981

IUPACN-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCCCCCN(CCNC(=O)c1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C16H22F2N2O2/c1-3-4-5-9-20(12(2)21)10-8-19-16(22)13-6-7-14(17)15(18)11-13/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeyBBCDMEGXBMZCLC-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.73
Rot. Bonds8

About N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide

N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113056981) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113056981
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCCCCCN(CCNC(=O)c1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C16H22F2N2O2/c1-3-4-5-9-20(12(2)21)10-8-19-16(22)13-6-7-14(17)15(18)11-13/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22)
InChIKeyBBCDMEGXBMZCLC-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.73
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

N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
3,4-difluoro-N-heptylbenzamide
CID 91717416
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-[acetyl(pentyl)amino]ethyl]-3-methoxybenzamide
CID 113056954
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055124
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
2-[acetyl(pentyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113166842
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide (CID 113056981) is N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide is CCCCCN(CCNC(=O)c1ccc(F)c(F)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is BBCDMEGXBMZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-3-4-5-9-20(12(2)21)10-8-19-16(22)13-6-7-14(17)15(18)11-13/h6-7,11H,3-5,8-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 312.36 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113056981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).