N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H21ClFN3O2 — CID 119702824

IUPACN-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C2C3CCC(C3)C2N)ccc1F.Cl
InChIInChI=1S/C16H20FN3O2.ClH/c1-8(21)19-13-7-11(4-5-12(13)17)20-16(22)14-9-2-3-10(6-9)15(14)18;/h4-5,7,9-10,14-15H,2-3,6,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyXBTNCNRDJLFROY-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.52
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119702824) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119702824
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(NC(=O)C2C3CCC(C3)C2N)ccc1F.Cl
InChIInChI=1S/C16H20FN3O2.ClH/c1-8(21)19-13-7-11(4-5-12(13)17)20-16(22)14-9-2-3-10(6-9)15(14)18;/h4-5,7,9-10,14-15H,2-3,6,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyXBTNCNRDJLFROY-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 102853783

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119702824) is N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(=O)Nc1cc(NC(=O)C2C3CCC(C3)C2N)ccc1F.Cl.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is XBTNCNRDJLFROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.ClH/c1-8(21)19-13-7-11(4-5-12(13)17)20-16(22)14-9-2-3-10(6-9)15(14)18;/h4-5,7,9-10,14-15H,2-3,6,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 341.81 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).