1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C20H23ClN2O2 — CID 126798109

IUPAC1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCOc1cccc(Cl)c1CNC(C)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H23ClN2O2/c1-14(22-13-17-18(21)8-4-9-19(17)25-2)15-6-3-7-16(12-15)23-11-5-10-20(23)24/h3-4,6-9,12,14,22H,5,10-11,13H2,1-2H3
InChIKeyIENJOAHWYWDPAK-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.33
Rot. Bonds6

About 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 126798109) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID126798109
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCOc1cccc(Cl)c1CNC(C)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H23ClN2O2/c1-14(22-13-17-18(21)8-4-9-19(17)25-2)15-6-3-7-16(12-15)23-11-5-10-20(23)24/h3-4,6-9,12,14,22H,5,10-11,13H2,1-2H3
InChIKeyIENJOAHWYWDPAK-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide
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CID 75471690
1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 95149643
1-[4-[1-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826332
5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
CID 167777508
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112805286
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
1-[4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826366
1-[3-[(1S)-1-[[(1S)-1-(furan-2-yl)-2-methoxyethyl]amino]ethyl]phenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 126798109) is 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one is COc1cccc(Cl)c1CNC(C)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is IENJOAHWYWDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(22-13-17-18(21)8-4-9-19(17)25-2)15-6-3-7-16(12-15)23-11-5-10-20(23)24/h3-4,6-9,12,14,22H,5,10-11,13H2,1-2H3.
What are the key properties of 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 358.87 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 126798109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).