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

C14H18F2N2O2 — CID 113052022

IUPACN-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C14H18F2N2O2/c1-9(2)18(10(3)19)7-6-17-14(20)11-4-5-12(15)13(16)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyZKLQKEMXJABRIQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.95
Rot. Bonds5

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

N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113052022) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113052022
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C14H18F2N2O2/c1-9(2)18(10(3)19)7-6-17-14(20)11-4-5-12(15)13(16)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyZKLQKEMXJABRIQ-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113054471
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
3-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113244840
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide (CID 113052022) is N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C(C)C.
What is the InChIKey of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is ZKLQKEMXJABRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9(2)18(10(3)19)7-6-17-14(20)11-4-5-12(15)13(16)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 284.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113052022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).