N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C14H17ClN2O — CID 107465822

IUPACN-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1C2CCCC21)c1cc(Cl)ccc1N
InChIInChI=1S/C14H17ClN2O/c1-17(12-7-8(15)5-6-11(12)16)14(18)13-9-3-2-4-10(9)13/h5-7,9-10,13H,2-4,16H2,1H3
InChIKeyUAAIGWNJPDYXCW-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.93
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 107465822) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID107465822
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1C2CCCC21)c1cc(Cl)ccc1N
InChIInChI=1S/C14H17ClN2O/c1-17(12-7-8(15)5-6-11(12)16)14(18)13-9-3-2-4-10(9)13/h5-7,9-10,13H,2-4,16H2,1H3
InChIKeyUAAIGWNJPDYXCW-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107465594
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide
CID 107465560
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 98540486

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 107465822) is N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(C(=O)C1C2CCCC21)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UAAIGWNJPDYXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17(12-7-8(15)5-6-11(12)16)14(18)13-9-3-2-4-10(9)13/h5-7,9-10,13H,2-4,16H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 2.93, 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[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 107465822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).