5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide

C16H20F2N2O — CID 61093321

IUPAC5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1F)C1CC2CCC1C2
InChIInChI=1S/C16H20F2N2O/c1-8(11-5-9-2-3-10(11)4-9)20-16(21)12-6-15(19)14(18)7-13(12)17/h6-11H,2-5,19H2,1H3,(H,20,21)
InChIKeyMNQJRVDERKKONY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.10
Rot. Bonds3

About 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide

5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide (PubChem CID 61093321) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
PubChem CID61093321
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1F)C1CC2CCC1C2
InChIInChI=1S/C16H20F2N2O/c1-8(11-5-9-2-3-10(11)4-9)20-16(21)12-6-15(19)14(18)7-13(12)17/h6-11H,2-5,19H2,1H3,(H,20,21)
InChIKeyMNQJRVDERKKONY-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940037
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4-fluorobenzamide
CID 24708984
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120616369
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 113240764
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-5-fluorobenzamide
CID 24699631
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524412
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 98370549

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide (CID 61093321) is 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide is CC(NC(=O)c1cc(N)c(F)cc1F)C1CC2CCC1C2.
What is the InChIKey of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
The InChIKey is MNQJRVDERKKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-8(11-5-9-2-3-10(11)4-9)20-16(21)12-6-15(19)14(18)7-13(12)17/h6-11H,2-5,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide?
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 61093321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).