1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one

C15H17ClN2O — CID 82897772

IUPAC1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
SMILESC[C@@H](NCCn1ccccc1=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-12(13-5-4-6-14(16)11-13)17-8-10-18-9-3-2-7-15(18)19/h2-7,9,11-12,17H,8,10H2,1H3/t12-/m1/s1
InChIKeyPMNSOMZWNBSKSG-GFCCVEGCSA-N
MW276.77 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one

1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one (PubChem CID 82897772) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
PubChem CID82897772
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
SMILESC[C@@H](NCCn1ccccc1=O)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-12(13-5-4-6-14(16)11-13)17-8-10-18-9-3-2-7-15(18)19/h2-7,9,11-12,17H,8,10H2,1H3/t12-/m1/s1
InChIKeyPMNSOMZWNBSKSG-GFCCVEGCSA-N
XLogP2.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
CID 81371719
(1R)-1-(3-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]ethanamine
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1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979645
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81366439
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104626269

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one (CID 82897772) is 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one is C[C@@H](NCCn1ccccc1=O)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one?
The InChIKey is PMNSOMZWNBSKSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-12(13-5-4-6-14(16)11-13)17-8-10-18-9-3-2-7-15(18)19/h2-7,9,11-12,17H,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one?
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one has a molecular weight of 276.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).