N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C15H19ClN2O — CID 107465594

IUPACN-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)C1CC2CCC1C2)c1cc(Cl)ccc1N
InChIInChI=1S/C15H19ClN2O/c1-18(14-8-11(16)4-5-13(14)17)15(19)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7,17H2,1H3
InChIKeyZOLCMSGHZLLKQT-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.32
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107465594) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107465594
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)C1CC2CCC1C2)c1cc(Cl)ccc1N
InChIInChI=1S/C15H19ClN2O/c1-18(14-8-11(16)4-5-13(14)17)15(19)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7,17H2,1H3
InChIKeyZOLCMSGHZLLKQT-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 107465594) is N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(C(=O)C1CC2CCC1C2)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZOLCMSGHZLLKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18(14-8-11(16)4-5-13(14)17)15(19)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7,17H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 278.78 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107465594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).