N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide

C13H17ClN2O2 — CID 107465560

IUPACN-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(C)c2cc(Cl)ccc2N)CO1
InChIInChI=1S/C13H17ClN2O2/c1-8-5-9(7-18-8)13(17)16(2)12-6-10(14)3-4-11(12)15/h3-4,6,8-9H,5,7,15H2,1-2H3
InChIKeyOWHPLBBWSBECHA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.31
Rot. Bonds2

About N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide

N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide (PubChem CID 107465560) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide
PubChem CID107465560
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(C)c2cc(Cl)ccc2N)CO1
InChIInChI=1S/C13H17ClN2O2/c1-8-5-9(7-18-8)13(17)16(2)12-6-10(14)3-4-11(12)15/h3-4,6,8-9H,5,7,15H2,1-2H3
InChIKeyOWHPLBBWSBECHA-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107465822
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,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-methoxy-N,5-dimethyloxolane-3-carboxamide
CID 114826107
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
N-(3-aminopropyl)-5-methyl-N-(2-methylphenyl)oxolane-3-carboxamide
CID 114824117
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide (CID 107465560) is N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide is CC1CC(C(=O)N(C)c2cc(Cl)ccc2N)CO1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide?
The InChIKey is OWHPLBBWSBECHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-5-9(7-18-8)13(17)16(2)12-6-10(14)3-4-11(12)15/h3-4,6,8-9H,5,7,15H2,1-2H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide?
N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 107465560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).