N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide

C12H17ClN2O — CID 107465612

IUPACN-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)11(16)15(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3
InChIKeyKYVROPNSCUNOML-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.93
Rot. Bonds1

About N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide

N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide (PubChem CID 107465612) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
PubChem CID107465612
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O/c1-12(2,3)11(16)15(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3
InChIKeyKYVROPNSCUNOML-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
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-methylacetamide
CID 107465702
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
3-amino-4-[2,2-dimethylpropanoyl(methyl)amino]benzoic acid
CID 63117218
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107465822
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide (CID 107465612) is N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide?
The InChIKey is KYVROPNSCUNOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2,3)11(16)15(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide?
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.93, 1 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,2,2-trimethylpropanamide is sourced from PubChem (CID 107465612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).