N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C15H18F2N2O — CID 43549853

IUPACN-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESNc1cc(NC(=O)CC2CC3CCC2C3)c(F)cc1F
InChIInChI=1S/C15H18F2N2O/c16-11-6-12(17)14(7-13(11)18)19-15(20)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5,18H2,(H,19,20)
InChIKeyGUBRMAPWWMNISW-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.31
Rot. Bonds3

About N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 43549853) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID43549853
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESNc1cc(NC(=O)CC2CC3CCC2C3)c(F)cc1F
InChIInChI=1S/C15H18F2N2O/c16-11-6-12(17)14(7-13(11)18)19-15(20)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5,18H2,(H,19,20)
InChIKeyGUBRMAPWWMNISW-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.31
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-(2-amino-5-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63256940
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 18557378
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 2338272
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 50935599
5-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]benzoic acid
CID 63115747
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932942
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide
CID 98435271
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-chlorobenzoic acid
CID 43078867
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 43549853) is N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is Nc1cc(NC(=O)CC2CC3CCC2C3)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is GUBRMAPWWMNISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c16-11-6-12(17)14(7-13(11)18)19-15(20)5-10-4-8-1-2-9(10)3-8/h6-10H,1-5,18H2,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 43549853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).