N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide

C16H19ClN2O — CID 43782533

IUPACN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1Cl
InChIInChI=1S/C16H19ClN2O/c1-10(20)19-16-5-4-14(8-15(16)17)18-9-13-7-11-2-3-12(13)6-11/h2-5,8,11-13,18H,6-7,9H2,1H3,(H,19,20)
InChIKeyXILHOQFRKPXQOU-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide

N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide (PubChem CID 43782533) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
PubChem CID43782533
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1Cl
InChIInChI=1S/C16H19ClN2O/c1-10(20)19-16-5-4-14(8-15(16)17)18-9-13-7-11-2-3-12(13)6-11/h2-5,8,11-13,18H,6-7,9H2,1H3,(H,19,20)
InChIKeyXILHOQFRKPXQOU-UHFFFAOYSA-N
XLogP3.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4-methylphenyl]acetamide
CID 43789833
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 107240495
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-fluorobenzoate
CID 43784798
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335
N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
CID 43690243
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methanesulfonamide
CID 43787041
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
CID 55192947

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide (CID 43782533) is N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NCC2CC3C=CC2C3)cc1Cl.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide?
The InChIKey is XILHOQFRKPXQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10(20)19-16-5-4-14(8-15(16)17)18-9-13-7-11-2-3-12(13)6-11/h2-5,8,11-13,18H,6-7,9H2,1H3,(H,19,20).
What are the key properties of N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide?
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide has a molecular weight of 290.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide is sourced from PubChem (CID 43782533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).