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

C14H18F2N2O2 — CID 113051885

IUPACN-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCCCN(CCNC(=O)c1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C14H18F2N2O2/c1-3-7-18(10(2)19)8-6-17-14(20)11-4-5-12(15)13(16)9-11/h4-5,9H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyXICLEIQHBDEDDI-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.95
Rot. Bonds6

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

N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113051885) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113051885
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCCCN(CCNC(=O)c1ccc(F)c(F)c1)C(C)=O
InChIInChI=1S/C14H18F2N2O2/c1-3-7-18(10(2)19)8-6-17-14(20)11-4-5-12(15)13(16)9-11/h4-5,9H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyXICLEIQHBDEDDI-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
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
3,4-difluoro-N-heptylbenzamide
CID 91717416
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113054471

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide (CID 113051885) is N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide is CCCN(CCNC(=O)c1ccc(F)c(F)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is XICLEIQHBDEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-3-7-18(10(2)19)8-6-17-14(20)11-4-5-12(15)13(16)9-11/h4-5,9H,3,6-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 284.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113051885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).