N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide

C15H20N2O — CID 61309519

IUPACN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C15H20N2O/c1-10(18)16-13-3-2-4-14(9-13)17-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15,17H,5-8H2,1H3,(H,16,18)
InChIKeyLIJPNBHSTHOIPR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.25
Rot. Bonds3

About N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide (PubChem CID 61309519) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
PubChem CID61309519
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C15H20N2O/c1-10(18)16-13-3-2-4-14(9-13)17-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15,17H,5-8H2,1H3,(H,16,18)
InChIKeyLIJPNBHSTHOIPR-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
CID 61309353
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
CID 61309718
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
N-[3-[[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]phenyl]acetamide
CID 6987651
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-phenylurea
CID 11892921
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide (CID 61309519) is N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide?
The InChIKey is LIJPNBHSTHOIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(18)16-13-3-2-4-14(9-13)17-15-8-11-5-6-12(15)7-11/h2-4,9,11-12,15,17H,5-8H2,1H3,(H,16,18).
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide?
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide is sourced from PubChem (CID 61309519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).