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

C16H20FN3O2 — CID 119702825

IUPACN-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2C3CCC(C3)C2N)ccc1F
InChIInChI=1S/C16H20FN3O2/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)
InChIKeyOHOYNBWKUVNQGG-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.10
Rot. Bonds3

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

N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119702825) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119702825
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2C3CCC(C3)C2N)ccc1F
InChIInChI=1S/C16H20FN3O2/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)
InChIKeyOHOYNBWKUVNQGG-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
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
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-(5-bromo-2,4-difluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 102853783
(1R,2R,6S,7S)-N-(3-acetamido-4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 72855276
3-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774480
N-[2-fluoro-5-[(3-methylcyclobutyl)amino]phenyl]acetamide
CID 104860140

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide (CID 119702825) is N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide is CC(=O)Nc1cc(NC(=O)C2C3CCC(C3)C2N)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OHOYNBWKUVNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/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).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide?
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.10, 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 is sourced from PubChem (CID 119702825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).