5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide

C15H19ClN2O — CID 63687178

IUPAC5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
SMILESNc1ccc(Cl)c(C(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C15H19ClN2O/c16-14-4-3-12(17)7-13(14)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2,(H,18,19)
InChIKeyMBNHBDRBBWCKIJ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.09
Rot. Bonds3

About 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide

5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide (PubChem CID 63687178) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
PubChem CID63687178
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
SMILESNc1ccc(Cl)c(C(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C15H19ClN2O/c16-14-4-3-12(17)7-13(14)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2,(H,18,19)
InChIKeyMBNHBDRBBWCKIJ-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpyridine-3-carboxamide
CID 63687718
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
CID 113229546
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide?
The IUPAC name of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide (CID 63687178) is 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide.
What is the SMILES notation for 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide?
The canonical SMILES for 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide is Nc1ccc(Cl)c(C(=O)NCC2CC3CCC2C3)c1.
What is the InChIKey of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide?
The InChIKey is MBNHBDRBBWCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-14-4-3-12(17)7-13(14)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8,17H2,(H,18,19).
What are the key properties of 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide?
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide has a molecular weight of 278.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide is sourced from PubChem (CID 63687178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).