N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide

C15H15ClN2O2 — CID 51983594

IUPACN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
SMILESC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C15H15ClN2O2/c1-11(9-12-4-6-14(16)7-5-12)17-15(19)13-3-2-8-18(20)10-13/h2-8,10-11H,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyRLWPFMGLOBPMIS-LLVKDONJSA-N
MW290.75 g/mol
LogP2.33
Rot. Bonds4

About N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide

N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide (PubChem CID 51983594) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
PubChem CID51983594
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
SMILESC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc[n+]([O-])c1
InChIInChI=1S/C15H15ClN2O2/c1-11(9-12-4-6-14(16)7-5-12)17-15(19)13-3-2-8-18(20)10-13/h2-8,10-11H,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyRLWPFMGLOBPMIS-LLVKDONJSA-N
XLogP2.33
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(4-chlorophenyl)-2,3-dimethylbutan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 125143948
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 94177179
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51949577
2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
CID 43697058
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51949788
2-bromo-N-[1-(4-chlorophenyl)propan-2-yl]-5-methylbenzamide
CID 81109562
N-[1-(4-chlorophenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 50739977
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide (CID 51983594) is N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide is C[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc[n+]([O-])c1.
What is the InChIKey of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is RLWPFMGLOBPMIS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11(9-12-4-6-14(16)7-5-12)17-15(19)13-3-2-8-18(20)10-13/h2-8,10-11H,9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide?
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 51983594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).