N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide

C14H17ClN2O — CID 104667623

IUPACN-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C1CC2CC2C1
InChIInChI=1S/C14H17ClN2O/c1-7-2-12(16)11(15)6-13(7)17-14(18)10-4-8-3-9(8)5-10/h2,6,8-10H,3-5,16H2,1H3,(H,17,18)
InChIKeyAMUYGLXYRBVJNL-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.22
Rot. Bonds2

About N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 104667623) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID104667623
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1cc(N)c(Cl)cc1NC(=O)C1CC2CC2C1
InChIInChI=1S/C14H17ClN2O/c1-7-2-12(16)11(15)6-13(7)17-14(18)10-4-8-3-9(8)5-10/h2,6,8-10H,3-5,16H2,1H3,(H,17,18)
InChIKeyAMUYGLXYRBVJNL-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.22
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-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 113438975
N-(4-amino-5-chloro-2-methylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 104667369
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
CID 104667456
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82756821
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-(4-amino-5-chloro-2-methylphenyl)-2-methyl-2-phenylpropanamide
CID 104667517

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 104667623) is N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide is Cc1cc(N)c(Cl)cc1NC(=O)C1CC2CC2C1.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is AMUYGLXYRBVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-7-2-12(16)11(15)6-13(7)17-14(18)10-4-8-3-9(8)5-10/h2,6,8-10H,3-5,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 104667623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).