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

C15H19ClN2O — CID 63687169

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
SMILESNc1ccc(Cl)cc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H19ClN2O/c16-12-3-4-14(17)13(7-12)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)
InChIKeyPYXJMEYUWLUHGF-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.09
Rot. Bonds3

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

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide (PubChem CID 63687169) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
PubChem CID63687169
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
SMILESNc1ccc(Cl)cc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H19ClN2O/c16-12-3-4-14(17)13(7-12)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)
InChIKeyPYXJMEYUWLUHGF-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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608
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)-5-chloro-2-hydroxybenzamide
CID 55232835
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
CID 113229546
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide (CID 63687169) is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide is Nc1ccc(Cl)cc1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide?
The InChIKey is PYXJMEYUWLUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-12-3-4-14(17)13(7-12)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 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide?
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-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 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide is sourced from PubChem (CID 63687169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).