N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide

C15H21ClN2O — CID 107465678

IUPACN-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1(C)CCCCC1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H21ClN2O/c1-15(8-4-3-5-9-15)14(19)18(2)13-10-11(16)6-7-12(13)17/h6-7,10H,3-5,8-9,17H2,1-2H3
InChIKeyASDPVZJWRTUWRP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.86
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide

N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 107465678) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID107465678
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(C(=O)C1(C)CCCCC1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H21ClN2O/c1-15(8-4-3-5-9-15)14(19)18(2)13-10-11(16)6-7-12(13)17/h6-7,10H,3-5,8-9,17H2,1-2H3
InChIKeyASDPVZJWRTUWRP-UHFFFAOYSA-N
XLogP3.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.86
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-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107465822
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
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-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107465594
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106826067
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671
N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
CID 107465551

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide (CID 107465678) is N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide is CN(C(=O)C1(C)CCCCC1)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is ASDPVZJWRTUWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-15(8-4-3-5-9-15)14(19)18(2)13-10-11(16)6-7-12(13)17/h6-7,10H,3-5,8-9,17H2,1-2H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide?
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.86, 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,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).