4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide

C15H17ClN2O — CID 43789197

IUPAC4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
SMILESNC(=O)c1ccc(NCC2CC3C=CC2C3)cc1Cl
InChIInChI=1S/C15H17ClN2O/c16-14-7-12(3-4-13(14)15(17)19)18-8-11-6-9-1-2-10(11)5-9/h1-4,7,9-11,18H,5-6,8H2,(H2,17,19)
InChIKeyPGAFHLQUMWMDLZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.06
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide

4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide (PubChem CID 43789197) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
PubChem CID43789197
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
SMILESNC(=O)c1ccc(NCC2CC3C=CC2C3)cc1Cl
InChIInChI=1S/C15H17ClN2O/c16-14-7-12(3-4-13(14)15(17)19)18-8-11-6-9-1-2-10(11)5-9/h1-4,7,9-11,18H,5-6,8H2,(H2,17,19)
InChIKeyPGAFHLQUMWMDLZ-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.06
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-chlorophenyl]acetamide
CID 43782533
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
methyl 5-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-fluorobenzoate
CID 43784798
benzyl 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylmethoxybenzoate
CID 118543138
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
2-chloro-4-(morpholin-2-ylmethylamino)benzamide
CID 115324268
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloro-4-(difluoromethoxy)aniline
CID 63449782
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
tert-butyl N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 107240495
1-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778721

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide (CID 43789197) is 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide is NC(=O)c1ccc(NCC2CC3C=CC2C3)cc1Cl.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide?
The InChIKey is PGAFHLQUMWMDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-14-7-12(3-4-13(14)15(17)19)18-8-11-6-9-1-2-10(11)5-9/h1-4,7,9-11,18H,5-6,8H2,(H2,17,19).
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide?
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide has a molecular weight of 276.77 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide is sourced from PubChem (CID 43789197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).